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Information card for entry 7038163
Preview
Coordinates | 7038163.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C171 H263 Cl6 N29 O119 V30 |
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Calculated formula | C96 H48 Cl6 O102 V30 |
SMILES | c12ccc(cc2)C2=[O][V]34(=O)([O]5[V]67([O]8[V]9([O]=C(c%10ccc(cc%10)C%10=[O][V]%11%12(=O)[O]%13[V]%14%15([O]%16[V]%17([O]=C(c%18ccc(cc%18)C%18=[O][V]%19%20([O]%21[V]%22%23([O]%24[V]([O]=C1O%19)(=O)([O]%20%23)OC1c%19ccc(cc%19)C%19=[O][V]%20%23(=O)[O]%25[V]%26%27([O]%28[V]%29%30([O]=C%31c%32ccc(cc%32)C%32=[O][V]%33%34([O]%35[V]%36%37([O]%38[V]([O]=C(c%39ccc(cc%39)C(=[O][V]%398(=O)[O]7[V]5([O]=C(c5ccc(cc5)C(=[O][V]%25(=O)([O]%27%29)O%31)O%23)O%39)(=O)O2)O9)O%33)(=O)([O]%34%37)[O]=C2c5ccc(cc5)C5=[O][V]%13(=O)([O]%15[V]%16([O]=C(c7ccc(cc7)C7=[O][V]89(=O)[O]%13[V]%15%16([O]%23[V]%25([O]=C(c%27ccc(cc%27)C(=[O][V]%28(=O)([O]%20%26)(O%19)Cl)O%30)O[V]%13([O]=C(c%13ccc(cc%13)C%13=[O][V]%21(Cl)(=O)([O]%22[V]%24([O]=1)(=O)O%13)O%18)O9)(=O)[O]%15%25)(=O)OC(c1ccc(cc1)C1=[O][V]%35(=O)([O]%36[V]%38([O]=2)(O1)=O)O%32)=[O][V]%23(=O)([O]8%16)O7)=O)O%17)(=O)O5)O%10)=O)=O)=O)=O)=O)=O)O%12)(=O)[O]%11%14)=O)O4)(=O)[O]36)=O)Cl.[Cl-].[Cl-].[Cl-] |
Title of publication | Polyoxovanadate-based organic-inorganic hybrids: from {V5O9Cl} clusters to nanosized octahedral cages. |
Authors of publication | Zhang, Yu-Teng; Wang, Xin-Long; Zhou, En-Long; Wu, Xue-Song; Song, Bai-Qiao; Shao, Kui-Zhan; Su, Zhong-Min |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 9 |
Pages of publication | 3698 - 3701 |
a | 33.453 ± 0.005 Å |
b | 33.453 ± 0.005 Å |
c | 33.453 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 37437 ± 10 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 225 |
Hermann-Mauguin space group symbol | F m -3 m |
Hall space group symbol | -F 4 2 3 |
Residual factor for all reflections | 0.0725 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.2187 |
Weighted residual factors for all reflections included in the refinement | 0.247 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71069 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/7038163.html
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Users of the data should acknowledge the original authors of the
structural data.