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Information card for entry 7040671
Preview
Coordinates | 7040671.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H78 N6 O24 V6 |
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Calculated formula | C36 H78 N6 O24 V6 |
SMILES | C1C[O]2[V]345([N]1(CC[O]3[V]136([O]7CC[N]8(CC[O]9[V]78(=O)([O]7CC[N]8(CC[O]%10[V]%11%12%13([N](CC[O]%11[V]978%10=O)(CC[O]%12[V]782([N](CC[O]%137)(CC[O]58)CCO)=O)CCO)=O)CCO)[O]6CC[N]1(CC[O]43)CCO)CCO)=O)CCO)=O |
Title of publication | An organo-functionalized metal-oxide cluster, [VO6{(OCH2CH2)2N(CH2CH2OH)}6], with Anderson-like structure. |
Authors of publication | Li, H.; Swenson, L.; Doedens, R. J.; Khan, M. I. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 41 |
Pages of publication | 16511 - 16518 |
a | 13.6688 ± 0.001 Å |
b | 13.6688 ± 0.001 Å |
c | 25.0762 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4057.4 ± 0.5 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0485 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.1089 |
Weighted residual factors for all reflections included in the refinement | 0.1173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/7040671.html
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Users of the data should acknowledge the original authors of the
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