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Information card for entry 4325456
Preview
Coordinates | 4325456.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31.5 H38 B4 Fe2 Mo2 O5.5 Se2 |
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Calculated formula | C31.5 H35 B4 Fe2 Mo2 O5.5 Se2 |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Mo]16789%102345[BH]23[BH]451[BH]1%116[BH]6%124[Fe]471(C#[O])(C#[O])([Fe]%116(C#[O])(C#[O])C#[O])[Se]9[Mo]1679%1035%124([c]3([c]1([c]6([c]7([c]93C)C)C)C)C)[Se]82)C)C)C)C.c1(ccccc1)C(=O)c1ccccc1 |
Title of publication | Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9 |
Authors of publication | K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5824 - 5832 |
a | 18.0715 ± 0.0009 Å |
b | 18.3109 ± 0.0009 Å |
c | 41.907 ± 0.002 Å |
α | 92.939 ± 0.003° |
β | 97.194 ± 0.002° |
γ | 119.025 ± 0.002° |
Cell volume | 11929.4 ± 1 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1839 |
Residual factor for significantly intense reflections | 0.128 |
Weighted residual factors for significantly intense reflections | 0.3117 |
Weighted residual factors for all reflections included in the refinement | 0.3417 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
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/4325456.html
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