Pub Date : 1997-12-01DOI: 10.1524/ZKRI.1997.212.1.54
Y.-Q. Zheng, K. Peters, H. Schnering
{"title":"Crystal structure of dipotassium chlorobromotungstate(IV), K2WCl5.4Br0.6","authors":"Y.-Q. Zheng, K. Peters, H. Schnering","doi":"10.1524/ZKRI.1997.212.1.54","DOIUrl":"https://doi.org/10.1524/ZKRI.1997.212.1.54","url":null,"abstract":"","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"47 1","pages":"54 - 54"},"PeriodicalIF":0.0,"publicationDate":"1997-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76245981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1997-12-01DOI: 10.1524/ZKRI.1997.212.1.75
K. Peters, E. Peters, H. Schnering, J. Pakusch, Hans-Dieter Beckhaus, C. Rüchardt
{"title":"Crystal structure of 2,3-diisocyano-2,3-diphenylbutane, [H3CC(NC)(C6H5)]2","authors":"K. Peters, E. Peters, H. Schnering, J. Pakusch, Hans-Dieter Beckhaus, C. Rüchardt","doi":"10.1524/ZKRI.1997.212.1.75","DOIUrl":"https://doi.org/10.1524/ZKRI.1997.212.1.75","url":null,"abstract":"","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"212 1","pages":"75 - 75"},"PeriodicalIF":0.0,"publicationDate":"1997-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81289961","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1997-12-01DOI: 10.1524/ZKRI.1997.212.1.24
R. Mauricot, J. Gareh, M. Evain
The structure of Ce 2 O 2.5 S, a form of Ce 2 O 2 S oxidized by exposure to air, was determined from combined X-ray and neutron powder diffraction data. The phase retains the trigonal symmetry and the P3m1 space group of the parent compound with cell parameters a = 3.96671(10) A and c = 6.8214(2) A and Z = 1. Refinements of 46 parameters by the Rietveld method, using 80 (X-ray) and 138 (neutron) reflections, led to Rp = 0.102 and R wp = 0.129 (X-ray), Rp = 0.063 and R wp = 0.048 (neutron), R p = 0.086 and R wp = 0.113 (global). The oxidation process is shown to correspond to an insertion of oxygen anions in the hexagonal prismatic bipyramidal cavity of the host structure. These additional oxygen atoms occupy a well defined off centered position of the cage, thereby forming short Ce-O and O-O distances. However, due to the disordered nature of the structure, no precise O-O distances and therefore phase charge balance information have been established.
ce2o2.5 S是一种暴露于空气中氧化的ce2o2.5 S，其结构由x射线和中子粉末衍射数据确定。相保持了母体化合物的三角对称和P3m1空间群，胞元参数a = 3.96671(10) a, c = 6.8214(2) a, Z = 1。通过Rietveld方法对46个参数进行改进，利用80 (x射线)和138(中子)反射，得到Rp = 0.102, R wp = 0.129 (x射线)，Rp = 0.063, R wp = 0.048(中子)，Rp = 0.086, R wp = 0.113(全局)。氧化过程显示对应于氧阴离子在宿主结构的六方棱柱双锥体腔中的插入。这些额外的氧原子占据笼的一个明确的非中心位置，从而形成短的Ce-O和O-O距离。然而，由于结构的无序性，没有精确的O-O距离，因此没有建立相电荷平衡信息。
{"title":"Crystal structure of Ce2O2.5S, an oxidized form of Ce2O2S, from neutron and X-ray powder diffraction","authors":"R. Mauricot, J. Gareh, M. Evain","doi":"10.1524/ZKRI.1997.212.1.24","DOIUrl":"https://doi.org/10.1524/ZKRI.1997.212.1.24","url":null,"abstract":"The structure of Ce 2 O 2.5 S, a form of Ce 2 O 2 S oxidized by exposure to air, was determined from combined X-ray and neutron powder diffraction data. The phase retains the trigonal symmetry and the P3m1 space group of the parent compound with cell parameters a = 3.96671(10) A and c = 6.8214(2) A and Z = 1. Refinements of 46 parameters by the Rietveld method, using 80 (X-ray) and 138 (neutron) reflections, led to Rp = 0.102 and R wp = 0.129 (X-ray), Rp = 0.063 and R wp = 0.048 (neutron), R p = 0.086 and R wp = 0.113 (global). The oxidation process is shown to correspond to an insertion of oxygen anions in the hexagonal prismatic bipyramidal cavity of the host structure. These additional oxygen atoms occupy a well defined off centered position of the cage, thereby forming short Ce-O and O-O distances. However, due to the disordered nature of the structure, no precise O-O distances and therefore phase charge balance information have been established.","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"10 1","pages":"24 - 28"},"PeriodicalIF":0.0,"publicationDate":"1997-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75509597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1997-12-01DOI: 10.1524/ZKRI.1997.212.1.71
K. Peters, E. Peters, H. Schnering, S. Meyer-Ahrens, W. Tochtermann
{"title":"Crystal structure of diethyl 4-aza-4-methyll7]- paracyclophane-9,10-dicarboxylate, C19H27NO4","authors":"K. Peters, E. Peters, H. Schnering, S. Meyer-Ahrens, W. Tochtermann","doi":"10.1524/ZKRI.1997.212.1.71","DOIUrl":"https://doi.org/10.1524/ZKRI.1997.212.1.71","url":null,"abstract":"","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"48 1","pages":"71 - 72"},"PeriodicalIF":0.0,"publicationDate":"1997-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74931067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1997-12-01DOI: 10.1524/ZKRI.1997.212.1.61
R. Pomes-Hernandez, J. Duque-Rodríguez, H. Novoa-de-Armas, R. Toscano
{"title":"Crystal structure of diethylammonium 2-(2,6-dichloroanilino)phenylacetate, C18H22Cl2N2O2","authors":"R. Pomes-Hernandez, J. Duque-Rodríguez, H. Novoa-de-Armas, R. Toscano","doi":"10.1524/ZKRI.1997.212.1.61","DOIUrl":"https://doi.org/10.1524/ZKRI.1997.212.1.61","url":null,"abstract":"","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"4 1","pages":"61 - 62"},"PeriodicalIF":0.0,"publicationDate":"1997-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72715365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1997-12-01DOI: 10.1524/ZKRI.1997.212.1.44
S. R. Choudhury, J. Traquair, J. Vittal
The title compound [(μ-O){Fe(C1)(bpy) 2 } 2 ] 2 Cl 2 0.7 C5H 11 OH (bpy = 2,2'-bipyridyl) crystallizes in orthorhombic system with the space group Pnna (No. 52). Crystal data: a = 16.892(2) A, b = 17.656(2) A, c = 16.552(2) A, V = 4936.6(12) A 3 , Z = 4, d calc = 1.286 g.cm -3 . The full-matrix least-squares on F 2 was refined for 1804 reflections with (I > 2σ(I)) and 213 parameters to R1 = 0.0912. A crystallographic 2-fold symmetry is present in the cation, in which the bridging oxygen atom lies on the 2-fold axis and bonded to two Fe atoms. Each iron(III) center has a distorted octahedral geometry with the bpy ligands attached in cis fashion. The Fe-O, Fe-Cl and Fe-N distances respectively are 1.790(2)A, 2.323(3)A and 2.143(8) A-2.279(9)A. Fe-O-Fe angle and the Fe... Fe separations are 167.6(6)° and 3.559(2) A, respectively.
标题化合物[(μ-O){Fe(C1)(bpy) 2} 2] 2cl 2 0.7 C5H 11 OH (bpy = 2,2′-联吡啶基)与空间基团Pnna (No. 52)在正交体系中结晶。晶体数据:a = 16.892(2) a, b = 17.656(2) a, c = 16.552(2) a, V = 4936.6(12) a 3, Z = 4, d calc = 1.286 g.cm -3。对F 2上1804个(I > 2σ(I))、213个参数的全矩阵最小二乘进行了细化，得到R1 = 0.0912。在阳离子中存在晶体学上的2重对称，其中桥接的氧原子位于2重轴上并与两个铁原子结合。每个铁(III)中心具有扭曲的八面体几何形状，bpy配体以顺式方式连接。Fe-O、Fe-Cl和Fe-N的距离分别为1.790(2)A、2.323(3)A和2.143(8)A-2.279(9)A。Fe- o -Fe角和Fe…Fe的分离度分别为167.6°和3.559°。
{"title":"A binuclear oxo-bridged iron(III) complex: structure of {(μ-oxo)-bis[cis-chloro-bis(2,2/ -bipyridyl)iron(lll)]} dichloride • 0.7 n-amyl alcohol solvate","authors":"S. R. Choudhury, J. Traquair, J. Vittal","doi":"10.1524/ZKRI.1997.212.1.44","DOIUrl":"https://doi.org/10.1524/ZKRI.1997.212.1.44","url":null,"abstract":"The title compound [(μ-O){Fe(C1)(bpy) 2 } 2 ] 2 Cl 2 0.7 C5H 11 OH (bpy = 2,2'-bipyridyl) crystallizes in orthorhombic system with the space group Pnna (No. 52). Crystal data: a = 16.892(2) A, b = 17.656(2) A, c = 16.552(2) A, V = 4936.6(12) A 3 , Z = 4, d calc = 1.286 g.cm -3 . The full-matrix least-squares on F 2 was refined for 1804 reflections with (I > 2σ(I)) and 213 parameters to R1 = 0.0912. A crystallographic 2-fold symmetry is present in the cation, in which the bridging oxygen atom lies on the 2-fold axis and bonded to two Fe atoms. Each iron(III) center has a distorted octahedral geometry with the bpy ligands attached in cis fashion. The Fe-O, Fe-Cl and Fe-N distances respectively are 1.790(2)A, 2.323(3)A and 2.143(8) A-2.279(9)A. Fe-O-Fe angle and the Fe... Fe separations are 167.6(6)° and 3.559(2) A, respectively.","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"27 1","pages":"44 - 47"},"PeriodicalIF":0.0,"publicationDate":"1997-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82301880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1997-12-01DOI: 10.1524/ZKRI.1997.212.1.29
J. Schefer, T. Woike, S. Haussühl, M. F. Díaz
We present population dynamics and structural properties of the metastable electronic excited state MS II in sodiumnitroprusside Na 2 [Fe(CN) 5 NO]. 2 D 2 O. The population of MS II was performed in a two step process: First by irradiation with light of λ = 476.5 nm in order to excite MS I by about 50% and secondly by irradiation with light of λ = 1064 nm to transfer 30% of the anions from MS I to MS II . The population is determined by Mossbauer spectroscopy in dependence on light exposure. Structure analysis of a single crystal with 32% of the anions in MS II, 8% in MS I and 60% in the ground state has been done using neutron single crystal diffraction.
{"title":"Population and structural changes of the metastable state II in sodiumnitroprusside (Na2[Fe(CN)5NO]*2 H2O) at 60 K","authors":"J. Schefer, T. Woike, S. Haussühl, M. F. Díaz","doi":"10.1524/ZKRI.1997.212.1.29","DOIUrl":"https://doi.org/10.1524/ZKRI.1997.212.1.29","url":null,"abstract":"We present population dynamics and structural properties of the metastable electronic excited state MS II in sodiumnitroprusside Na 2 [Fe(CN) 5 NO]. 2 D 2 O. The population of MS II was performed in a two step process: First by irradiation with light of λ = 476.5 nm in order to excite MS I by about 50% and secondly by irradiation with light of λ = 1064 nm to transfer 30% of the anions from MS I to MS II . The population is determined by Mossbauer spectroscopy in dependence on light exposure. Structure analysis of a single crystal with 32% of the anions in MS II, 8% in MS I and 60% in the ground state has been done using neutron single crystal diffraction.","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"14 1","pages":"29 - 33"},"PeriodicalIF":0.0,"publicationDate":"1997-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81683764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：