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Information card for entry 7010635
Preview
Coordinates | 7010635.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H108 As Mo6 O50 S8 Se8 |
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Calculated formula | C56 H108 As Mo6 O50 S8 Se8 |
SMILES | c1(ccc(cc1)C)S(=O)(=O)[O-].c1(S(=O)(=O)[O-])ccc(cc1)C.[OH2][Mo]1234([OH2])([OH2])[Mo]567([OH2])([OH2])([OH2])[Mo]81([OH2])([OH2])([Se]25)([Se]4[As]12([Se]36)([Se]3[Mo]456([OH2])([OH2])([OH2])[Mo]9%103([OH2])([OH2])([OH2])[Mo]4([OH2])([OH2])([OH2])([Se]59)([Se]16)[Se]2%10)[Se]78)[OH2].S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)(c1ccc(cc1)C)[O-].O.O.O.O.c1(ccc(cc1)C)S(=O)(=O)[O-].c1(ccc(cc1)C)S(=O)(=O)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].O.O.O.O |
Title of publication | Formation of Group 14 and 15 heteroatom derivatives of trinuclear [M3Se4(H2O)9]4+ (M = Mo, W) and the decreased reactivity of [W3S4(H2O)9]4+ |
Authors of publication | Hernandez-Molina, Rita; Elsegood, Mark R. J.; Clegg, William; Sykes, A. G. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 14 |
Pages of publication | 2173 |
a | 12.3516 ± 0.0011 Å |
b | 34.072 ± 0.003 Å |
c | 11.9253 ± 0.0011 Å |
α | 90° |
β | 92.645 ± 0.004° |
γ | 90° |
Cell volume | 5013.3 ± 0.8 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0712 |
Weighted residual factors for all reflections included in the refinement | 0.0764 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
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/7010635.html
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