X-ray Structure Analysis Online最新文献

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Crystal Structure of 6-Aza-3,9-dithiaundecane Hydrochloride 6-氮杂-3,9-二硫代十一烷盐酸盐的晶体结构

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-09-10 DOI: 10.2116/xraystruct.35.55

Mari Toyama, K. Chayama

was also observed in a series of acyclic polythioethers. 5 The title compound consists of two parts: a protonated N -H-ATU cation, ( N -H 2 -ATU) + , and a Cl – anion. Two hydrogen atoms on the N1 atom connect with the counter anion, Cl – , The crystal structure of the title compound, 6-aza-3,9-dithiaundecane hydrochloride ( N -H-ATU·HCl), was determined by X-ray crystallography. The hydrogen-bonding networks in the crystal extend along with the b and c axes to form a 2D-triple-sheet, in which the Cl – ions put between two ( N -H 2 -ATU) + sheets. The compound was crystallized in an orthorhombic system as: Pccn , a = 25.0091(4), b = 5.39364(10), c = 9.37759(19)Å, Z = 4, V = 1264.94(4)Å 3 . The R 1 and wR 2 values were 0.0341 and 0.0880, respectively, for 1162 reflections.

在一系列无环聚硫醚中也观察到。标题化合物由两部分组成:质子化的N - h - atu阳离子(N - h 2 - atu) +和Cl -阴离子。N1原子上的两个氢原子与反阴离子Cl -连接，用x射线晶体学测定了标题化合物6-叠氮-3,9-二硫代十一烷盐酸盐(N - h - atu·HCl)的晶体结构。晶体中的氢键网络沿b轴和c轴延伸形成二维三层，其中Cl -离子位于两个(N - h2 - atu) +层之间。化合物在正交晶系中结晶为:Pccn, a = 25.0091(4)， b = 5.39364(10)， c = 9.37759(19)Å， Z = 4, V = 1264.94(4)Å 3。1162次反射的r1和wr2值分别为0.0341和0.0880。

引用次数: 0

Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin 7-(二甲氨基)-3-苯基香豆素的晶体结构

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-08-10 DOI: 10.2116/XRAYSTRUCT.35.47

K. Kubo, Taisuke Matsumoto, H. Takechi

引用次数: 0

Crystal Structure of Catena-((μ8-benzene-1,2,4,5-tetracarboxylato)-triaqua-calcium(II)-copper(II))

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-08-10 DOI: 10.2116/XRAYSTRUCT.35.49

Gaoxiang Meng, Qiang Li, Yongming Yang

The construction of some metal-organic framework (MOF) based on alkaline earth metals and aromatic carboxylic acid has been emerging as a research field for more than thirty years.1 The lack of d-orbital electrons in alkaline elements may result in even more coordination geometries in the construction of a MOF material.1 However, by introducing both one transition and alkaline earth metals simultaneously into a MOF structure has been only reported recently.2 The unsaturated coordination and weak coordinated solvent molecules around metal centers can provide some new type of potentially valuable MOF materials.3–6 Based on this design strategy, we have now prepared one Cu(II)-Ca(II) combined coordination complex (I) under the hydrothermal condition (Fig. 1). In (I), these two types of metals are bridged by benzene-1,2,4,5-tetracarboxylic acid (H4BTA). Although no crystallographic void was detected in (I), it can adsorb N2 gas to a certain extent. Herein, we will report the crystal structure of (I). In this research, compound (I) was prepared by dissovling Cu(NO3)2·2(H2O) (0.2 mmol, 48.0 mg), CaCl2 (0.2 mmol, 23 mg) and H4BTA acid (0.2 mmol, 51.0 mg) in 10 mL of water. The mixture was stirred for 10 min at ambient temperature and then heated in a 20-mL capacity Teflon-lined reaction vessel at 160°C for 3 days. After slowly cooling to room temperature at a rate of 5°C h–1, the final plate-blue crystals (51.2 mg), suitable for X-ray structure analysis, could be obtained. The crystal and structure refinement data are summarized in Table 1. 2019 © The Japan Society for Analytical Chemistry

三十多年来，基于碱土金属和芳香羧酸的一些金属有机骨架（MOF）的构建一直是一个新兴的研究领域。1碱性元素中缺乏d轨道电子可能会导致MOF材料的构建中出现更多的配位几何结构。1然而，通过将一种过渡金属和碱土金属同时引入MOF结构，最近才有报道。2金属中心周围的不饱和配位和弱配位溶剂分子可以提供一些新型的潜在价值的MOF材料。3-6基于这种设计策略，我们现在已经在水热条件下制备了一种Cu（II）-Ca（II）组合配位络合物（I）（图1）。在（I）中，这两种类型的金属通过苯-1，2，4，5-四羧酸（H4BTA）桥接。虽然在（I）中没有检测到结晶空隙，但它可以在一定程度上吸附N2气体。在此，我们将报道（I）的晶体结构。在本研究中，化合物（I）是通过将Cu（NO3）2·2（H2O）（0.2mmol，48.0mg）、CaCl2（0.2mmol、23mg）和H4BTA酸（0.2mmol和51.0mg）溶解在10mL水中制备的。将混合物在环境温度下搅拌10分钟，然后在容量为20 mL的聚四氟乙烯内衬反应容器中在160°C下加热3天。在以5°C h–1的速率缓慢冷却至室温后，可以获得适合X射线结构分析的最终板状蓝色晶体（51.2 mg）。晶体和结构细化数据总结在表1中。2019©日本分析化学学会

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引用次数: 0

Crystal Structure of [N-(9-Anthracenylmethyl)-1,3-propanediamine](2,2′-bipyridine)platinum(II) Chloride [N-（9-蒽甲基）-1,3-丙二胺]（2,2′-联吡啶）氯化铂（II）的晶体结构

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-07-10 DOI: 10.2116/XRAYSTRUCT.35.39

T. Kiwada, H. Takayama, Hiromu Katakasu, A. Odani

The crystal structure of [ N -(9-anthracenylmethyl)-1,3-propanediamine](2,2 ′ -bipyridine)platinum(II) chloride was determined by X-ray crystallography. The title complex crystallized in the monoclinic space group P 21/ c and Z = 4 with cell parameters a = 11.2466(7)Å, b = 17.3553(10)Å, c = 13.7027(9)Å, β = 100.501(2) ° , V = 2629.8(3)Å 3 . [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0271 and 0.0619, respectively, for all 5995 independent reflections. The intramolecular π-π stacking interaction was observed between the anthracene and the bipyridine. In the crystal packing structure, the intermolecular π-π stacking interaction was observed. 2019)

用X射线晶体学方法测定了[N-（9-蒽甲基）-1,3-丙二胺]（2,2′-联吡啶）氯化铂（II）的晶体结构。标题配合物在单斜空间群P21/c和Z=4中结晶，细胞参数a=12.466（7）Å，b=17.3553（10）Å、c=13.7027（9）Å和β=100.501（2）°，V=22629.8（3）Å3。对于所有5995个独立反射，[I>2σ（I）]和wR2（所有数据）值分别为0.0271和0.0619。蒽和联吡啶之间存在分子内π-π堆积相互作用。在晶体堆积结构中，观察到分子间π-π堆积相互作用。2019）

引用次数: 0

Crystal Structure of a Co(III) Complex with 2-Aminoethanethiol and Triethylenetetramine 2-氨基乙硫醇和三乙烯四胺钴（III）配合物的晶体结构

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-07-10 DOI: 10.2116/XRAYSTRUCT.35.43

Chika Kurogi, T. Yonemura

The structure of β (Nprim)-[Co(aet)(trien)]Cl 2 [aet: 2-aminoethanethiolate, trien: triethylenetetramine] was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in a triclinic space group P 1 with a = 8.279(3), b = 10.673(5), c = 10.696(4)Å, α = 64.70(3), β = 95.76(3), γ = 91.17(4) ° , V = 849.9(6)Å 3 , D calcd = 1.552 g/cm 3 , Z = 2. The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0385 and 0.1145, respectively, for all 3913 independent reflections. Central cobalt(III) atoms have an approximate octahedral geometry and are coordinated by five nitrogen atoms and one sulfur atom. The obtained compound from the major eluate is in the β (Nprim) form in which the sulfur atom is present in the trans position to a primary nitrogen atom of the triethylenetetramine (trien).

合成了β（Nprim）-[Co（aet）（trien）]Cl2[aet:2-氨基乙硫醇，trien：三乙四胺]的结构，并用单晶X射线分析对其进行了表征。该化合物在三斜空间群P1中结晶，a=8.279（3），b=10.673（5），c=10.696（4）Å，α=64.70（3）、β=95.76（3）和γ=91.17（4）°，V=849.9（6）Å3，D calcd=1.552 g/cm3，Z=2。对于所有3913个独立反射，R1[I>2σ（I）]和wR2（所有数据）值分别为0.0385和0.1145。中心钴（III）原子具有近似的八面体几何结构，并由五个氮原子和一个硫原子配位。从主要洗脱液中获得的化合物为β（Nprim）形式，其中硫原子存在于三乙烯四胺（trien）的伯氮原子的反式位置。

引用次数: 0

Crystal Structure of (2,2′-Bipyridine)(N-(1-naphthyl)methyl-1,3-propanediamine)platinum(II) Chloride （2,2′-联吡啶）（N-（1-萘基）甲基-1,3-丙二胺）氯化铂（II）的晶体结构

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-06-10 DOI: 10.2116/XRAYSTRUCT.35.35

T. Kiwada, Aika Hirasaki, A. Odani

The crystal structure of (2,2 ′ -bipyridine)( N -(1-naphthyl)methyl-1,3-propanediamine)platinum(II) chloride was determined by X-ray crystallography. The title complex crystallized in the monoclinic space group C 2/ c and Z = 8 with cell parameters a = 23.3026(14)Å, b = 17.4118(12)Å, c = 12.3816(7)Å, β = 109.032(8) ° , V = 4749.1(6)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0242 and 0.0490, respectively, for all 5435 independent reflections. In the crystal structure, disorder was observed for the N -(1-naphthyl)methyl-1,3-propanediamine moiety. Hydrogen-bond network was formed between the (2,2 ′ -bipyridine)( N -(1-naphthyl)methyl-1,3-propanediamine)platinum(II) cations and chloride anions.

用X射线晶体学方法测定了（2,2′-联吡啶）（N-（1-萘基）甲基-1,3-丙二胺）氯化铂（II）的晶体结构。标题配合物在单斜空间群C2/C和Z=8中结晶，细胞参数a=23.3026（14）Å，b=17.4118（12）Å、C=12.3816（7）Å和β=109.032（8）°，V=44749.1（6）Å3。对于所有5435个独立反射，R1[I>2σ（I）]和wR2（所有数据）值分别为0.0242和0.0490。在晶体结构中，观察到N-（1-萘基）甲基-1,3-丙二胺部分的无序。（2,2′-联吡啶）（N-（1-萘基）甲基-1,3-丙二胺）铂（II）阳离子与氯阴离子之间形成氢键网络。

引用次数: 0

Synthesis and Crystal Structure of Bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolato]zinc(II) 双[2-（1,4,5,6-四氢嘧啶-2-基）苯酚基]锌的合成和晶体结构（II）

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-06-10 DOI: 10.2116/XRAYSTRUCT.35.37

R. Mitsuhashi, M. Mikuriya

Magnetic dilution of coordination compounds, in which paramagnetic atoms in a crystal are partially substituted by diamagnetic atoms, is a useful technique to investigate the magnetic interactions in detail.1 To achieve magnetic dilution, it is necessarily to employ a diamagnetic metal ion with the same oxidation state and similar size to that of the original paramagnetic ion. Furthermore, the diamagnetic analogue of the desired complex has to be isomorphic. Since mononuclear cobalt(II) complexes can be a single-ion magnet,2,3 the preparation of a zinc(II) analogue is important. On the other hand, we recently reported that the bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolato]cobalt(II) complex exhibits magnetic slow relaxation, even in the absence of an external magnetic field.3 It is suggested that the origin of the slow relaxation is to be intermolecular magnetic interactions induced by hydrogenbonding interactions. To investigate the effect of intermolecular interactions, we focused on the synthesis, crystal structure and hydrogen-bonded supramolecular structure of the zinc(II) analogue, bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolato]zinc(II) (Fig. 1). The unsymmetrical bidentate ligand precursor, 2-(1,4,5,6tetrahydropyrimidin-2-yl)phenol (H2thp), was synthesized by a reported procedure.4 Although previously reported [Co(Hthp)2] was synthesized from the Co(BF4)2·6H2O, preparation of [Zn(Hthp)2] from the BF4 salt resulted in the formation of colorless microcrystals. Alternatively, colorless single crystals of [Zn(Hthp)2] were obtained by a reaction of ZnCl2, H2thp and KOtBu in a 1:2:2 ratio in ethanol. Yield: 34.1 mg (40%). Crystal data are included in Table 1. X-ray crystallographic 2019 © The Japan Society for Analytical Chemistry

配位化合物的磁性稀释，其中晶体中的顺磁性原子被反磁性原子部分取代，是详细研究磁性相互作用的一种有用技术。1要实现磁性稀释，必须使用与原始顺磁性离子具有相同氧化态和相似大小的反磁性金属离子。此外，所需复合物的反磁性类似物必须是同构的。由于单核钴（II）配合物可以是单个离子磁体，2，3锌（II）类似物的制备是重要的。另一方面，我们最近报道了双[2-（1,4,5,6-四氢嘧啶-2-基）苯酚基]钴（II）配合物即使在没有外部磁场的情况下也表现出磁慢弛豫。3有人认为，慢弛豫的起源是氢键相互作用诱导的分子间磁相互作用。为了研究分子间相互作用的影响，我们重点研究了锌（II）类似物双[2-（1，4，5，6-四氢嘧啶-2-基）苯酚基]锌的合成、晶体结构和氢键超分子结构（图1）。不对称双齿配体前体2-（1，4，5，6四氢嘧啶-2-基）苯酚（H2thp）是通过报道的程序合成的。4尽管之前报道的[Co（Hthp）2]是由Co（BF4）2·6H2O合成的，但由BF4盐制备[Zn（Hthp）2]导致形成无色微晶。或者，通过ZnCl2、H2thp和KOtBu在乙醇中以1:2:2的比例反应，获得无色的[Zn（Hthp）2]单晶。产量：34.1 mg（40%）。晶体数据包含在表1中。X射线晶体学2019©日本分析化学学会

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引用次数: 1

Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylsulfoxide-κO)iron(III) Tris(hexafluoridophosphate) 单核铁(III)配合物六(二甲基亚砜-κO)铁(III)三(六氟酰基磷酸)的晶体结构

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-05-10 DOI: 10.2116/XRAYSTRUCT.35.31

Kaoru Shomura, R. Mitsuhashi, M. Mikuriya, Y. Kataoka, M. Handa, H. Sakiyama

X-ray method. The compound crystallized in the trigonal space group R 3 and Z = 3 with cell parameters a = 11.598(8)Å, c = 25.367(18)Å, V = 2955(4)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values were 0.0509 and 0.1565, respectively, for all 1630 independent reflections. The symmetry of the complex cation was found to belong to the S 6 point group, possessing a trigonally compressed octahedral coordination geometry with an O 6 donor set.

x射线方法。化合物在三角形空间群R 3和Z = 3中结晶，晶胞参数a = 11.598(8)Å， c = 25.367(18)Å， V = 2955(4)Å 3。1630个独立反射的R 1 [I > 2 σ (I)]和wR 2(所有数据)值分别为0.0509和0.1565。发现配合物阳离子的对称性属于s6点群，具有与o6给体集的三角压缩八面体配位几何。

引用次数: 0

Synthesis and Crystal Structure of 1,3-Bis(5-chloro-3-methoxysalicylideneamino)-2-propanol Trihydrate 1,3-双（5-氯-3-甲氧基亚水杨基氨基）-2-丙醇三水合物的合成与晶体结构

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-05-10 DOI: 10.2116/XRAYSTRUCT.35.33

M. Mikuriya, Yoshiki Koyama, R. Mitsuhashi

X-ray quality crystals were grown by slow the data collected on a Bruker CCD X-ray diffractometer (SMART APEX) using graphite-monochromated Mo- K α radiation. Crystal data and data Table The structure was solved by an intrinsic phasing method and refined The title compound, 1,3-bis(5-chloro-3-methoxysalicylideneamino)-2-propanol trihydrate, was synthesized and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the monoclinic space group P 2/ c with a = 18.098(3)Å, b = 4.3275(8)Å, c = 14.572(3)Å, β = 104.283(3) ° , V = 1106.0(3)Å 3 , D x = 1.445 g/cm 3 ,

使用石墨单色Mo-Kα辐射，通过在Bruker CCD X射线衍射仪（SMART APEX）上缓慢收集数据来生长X射线质量的晶体。晶体数据和数据表通过本征定相法求解结构并进行精制。合成了标题化合物1,3-双（5-氯-3-甲氧基亚水杨基氨基）-2-丙醇三水合物，并通过单晶X射线衍射法在90K下测定了晶体结构。它在单斜空间群P2/c中结晶，a=18.098（3）Å，b=4.3275（8）Å，c=14.572（3）Å，β=104.283（3）°，V=1106.0（3）å3，D x=1.445 g/cm3，

引用次数: 1

Synthesis and Crystal Structure of the Bis(μ-hydroxo)diiron(II) Complex with Tridentate Ligands Having a Sterically Bulky Imidazolyl Group 具有空间大体积咪唑基的双μ-羟基二铁(II)配合物的合成和晶体结构

IF 0.2 Q4 Materials Science

X-ray Structure Analysis Online

Pub Date : 2019-05-10 DOI: 10.2116/XRAYSTRUCT.35.27

Reiko Yaguchi, H. Furutachi, Sanae Shirotsuki, Xi Zhang, T. Ishikawa, Shigehisa Akine, T. Tosha, S. Fujinami, Masatatsu Suzuki, T. Kitagawa

The Fe2/O2-mediated arene hydroxylation is of current interest for understanding the reaction mechanism of a dioxygen activating non-heme dinuclear iron enzyme, such as toluene monooxygenase (TMO).1–3 Previously, we reported on intramolecular aromatic ligand hydroxylation via the decay of (μ-peroxo)diiron(III) complexes with the dinucleating ligands having a phenyl group as a reaction probe.4–6 In this study, we synthesized the bis(μ-hydroxo)diiron(II) complex [Fe2(OH)2(L)2](ClO4)2 (1) with a tridentate ligand (L) having 2-phenylimidazolyl groups in order to examine the Fe2/O2-mediated arene hydroxylation (Fig. 1). In this paper, we report on the crystal structure of 1 together with the reactivity toward dioxygen. The tridentate ligand L·H2O was synthesized according to a literature method.7 The diiron(II) complex with L was prepared under a N2 atmosphere. A mixture of Fe(CF3SO3)2·2CH3CN (0.436 g, 1.0 mmol) and L·H2O (0.456 g, 1.0 mmol) in dryTHF/CH2Cl2 (1:1, 20 mL) was added a THF solution (3 mL) containing H2O (18 μL, 1.0 mmol) and triethylamine (138 μL, 1.0 mmol) to give a yellow-green solution. Diethyl ether (20 mL) was added to the resulting yellow-green solution to give a yellow-green powder, which was filtered and washed with diethyl ether. Yield: 0.32 g, 47%. Anal. Found: C, 52.51; H, 4.43; N, 10.18%. Calcd for [Fe2(OH)2(L)2](CF3SO3)2·2H2O, C60H64F6Fe2N10O10S2: C, 52.41; H, 4.69; N, 10.19%. Single crystals of [Fe2(OH)2(L)2](ClO4)2 (1) suitable for X-ray crystallography were obtained by slow diffusion of diethyl ether onto a dry-CH2Cl2/MeCN (1:1) solution of a yellow-green powder containing (n-Bu)4NClO4. X-ray diffraction measurements were made on a Rigaku CCD Mercury diffractometer with graphite-monochromated Mo Kα radiation at 123 K. The structure was solved by a direct method (SHELXS 97)9 and expanded using a Fourier technique. The structure was refined by a full-matrix least-squares method by using a SHELXL 201410 (Yadokari-XG).11 All non-hydrogen atoms were refined with anisotropic displacement parameters. The μ-hydroxo hydrogen atoms were refined using distance restraints with Uiso constrained to 1.2-times the Ueq of the parent oxygen atoms. Other hydrogen atoms were included using a riding model. The crystal data are summarized in Table 1. X-ray crystallography of 1 reveals that the asymmetric unit contains a half of the complex cation [Fe2(OH)2(L)2] and a perchlorate anion. The molecular structure of the complex cation [Fe2(OH)2(L)2] of 1 is shown in Fig. 2. Selected bond distances (Å) and angles (°) are given in Table 2. The complex cation [Fe2(OH)2(L)2] of 1 has a centrosymmetric bis(μhydroxo)diiron(II) diamond core, as found for a closely related five-coordinated bis(μ-hydroxo)diiron(II) complex [Fe2(OH)22019 © The Japan Society for Analytical Chemistry

Fe2/ o2介导的芳烃羟基化反应对了解双氧激活非血红素双核铁酶(如甲苯单加氧酶(TMO))的反应机制具有重要意义。1-3以前，我们报道了分子内芳香配体的羟基化，通过(μ-过氧)二铁(III)配合物的衰变，以苯基为反应探针的二核配体。4-6在本研究中，我们合成了双(μ-羟基)二铁(II)配合物[Fe2(OH)2(L)2](ClO4)2(1)与一个具有2-苯基咪唑基的三齿配体(L)，以研究Fe2/ o2介导的芳烃羟基化反应(图1)。在本文中，我们报道了1的晶体结构和对二氧的反应性。根据文献法合成了L·H2O三齿配体在N2气氛下制备了L -二铁配合物。将Fe(CF3SO3)2·2CH3CN (0.436 g, 1.0 mmol)和L·H2O (0.456 g, 1.0 mmol)在dryTHF/CH2Cl2 (1:1, 20 mL)中混合，加入含有H2O (18 μL, 1.0 mmol)和三乙胺(138 μL, 1.0 mmol)的THF溶液(3 mL)，得到黄绿色溶液。在得到的黄绿色溶液中加入乙醚(20ml)，得到黄绿色粉末，过滤后用乙醚洗涤。收率:0.32 g, 47%。分析的发现:C, 52.51;H, 4.43;N, 10.18%。[Fe2(OH)2(L)2](CF3SO3)2·2H2O, C60H64F6Fe2N10O10S2: C, 52.41;H, 4.69;N, 10.19%。将乙醚缓慢扩散到含有(n-Bu)4NClO4的黄绿色粉末的ch2cl2 /MeCN(1:1)溶液上，得到了适合x射线晶体学的[Fe2(OH)2(L)2](ClO4)2(1)单晶。在Rigaku CCD水银衍射仪上用石墨-单铬化Mo Kα辐射在123 K下进行了x射线衍射测量。该结构采用直接法(SHELXS 97)9求解，并采用傅里叶技术展开。采用SHELXL 201410 (Yadokari-XG)全矩阵最小二乘法对结构进行优化所有非氢原子均采用各向异性位移参数进行细化。μ-羟基氢原子采用距离约束，Ueq约束为母体氧原子Ueq的1.2倍。其他氢原子被包括在骑行模型中。晶体数据汇总于表1。x射线晶体学显示，不对称单元含有一半的配合阳离子[Fe2(OH)2(L)2]和一个高氯酸盐阴离子。1的络合阳离子[Fe2(OH)2(L)2]的分子结构如图2所示。所选键距(Å)和键角(°)见表2。1的配合物阳离子[Fe2(OH)2(L)2]具有中心对称的双(μ-羟基)双铁(II)金刚石核，与密切相关的五配位双(μ-羟基)双铁(II)配合物[Fe2(OH)22019©日本分析化学学会

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