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Information card for entry 7211904
Preview
Coordinates | 7211904.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H66 Cl N12 Ni2 O38 V15 |
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Calculated formula | C18 H60 Cl N12 Ni2 O38 V15 |
SMILES | [C@H]1(C[NH2][Ni]23([NH2]1)([NH2][C@@H](C[NH2]2)C)[NH2][C@@H](C[NH2]3)C)C.O1[V]23(=O)[O]4[V]56([O]7[V]89([O]5[V]54(=O)[O]4[V]%101(=O)[O]1[V]%114([O]4[V](O8)(=O)([O]8[V]%12%13(=O)[O]9[V]97([O]7[V]%14(O[V]%15%16(=O)[O]%17[V]%18(=O)([O]%14[V]7([O]26)(=O)[O]3%18)[O]%10[V]1%17([O]%15[V]48(=O)[O]%13%16)=O)(=O)[O]%129)=O)[O]5%11)=O)=O)=O.[Cl-].O.[C@@H]1(C[NH2][Ni]23([NH2]1)([NH2][C@H](C[NH2]2)C)[NH2][C@H](C[NH2]3)C)C.O |
Title of publication | Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates |
Authors of publication | Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 242 |
a | 12.6031 ± 0.0009 Å |
b | 12.6031 ± 0.0009 Å |
c | 22.563 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3103.7 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 176 |
Hermann-Mauguin space group symbol | P 63/m |
Hall space group symbol | -P 6c |
Residual factor for all reflections | 0.0706 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.2038 |
Weighted residual factors for all reflections included in the refinement | 0.207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7211904.html
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Users of the data should acknowledge the original authors of the
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