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Information card for entry 7019592
Preview
Coordinates | 7019592.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H112 As8 N16 O57 V16 |
---|---|
Calculated formula | C64 H112 As8 N16 O57 V16 |
SMILES | c1(ccccc1N)[As]12=[O][V]34(=O)[O]5[V]67(=O)O[As](O3)(c3ccccc3N)=[O][V]38(=O)O[V]9%10(=O)[O]8[V]8%11(=O)O[As](c%12c(cccc%12)N)(O3)=[O][V]3%12(=O)[O]%13[V]%14%15(=O)[O]%16[V]%13(O3)(=O)O[As]3(c%13c(cccc%13)N)O[V]%16(O%15)(=O)[O]=[As]%13(c%15ccccc%15N)O[V]%15(=O)([O]%16[V]%17(=O)(O%13)[O]([V](=O)(O2)(O%17)[O]=[As](c2ccccc2N)(O%12)O%14)[V]%16(O1)(O%15)=O)[O]=[As]1(c2ccccc2N)O[V]5(=O)(O4)[O]6[V](O7)(O1)(=O)[O]=[As](O%10)(c1ccccc1N)O[V]([O]89)(O%11)([O]=3)=O.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.O.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C |
Title of publication | Controlled solvothermal synthesis of novel organic functionalized polyoxovanadates. |
Authors of publication | Chen, Baokuan; Wang, Bo; Lin, Zhengguo; Fan, Linyuan; Gao, Yuanzhe; Chi, Yingnan; Hu, Changwen |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 23 |
Pages of publication | 6910 - 6913 |
a | 27.341 ± 0.003 Å |
b | 26.566 ± 0.003 Å |
c | 20.434 ± 0.002 Å |
α | 90° |
β | 112.657 ± 0.002° |
γ | 90° |
Cell volume | 13697 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0653 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1476 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7019592.html
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