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Information card for entry 4114781
Preview
Coordinates | 4114781.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H15 Ir3 Mo O11 |
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Calculated formula | C21 H15 Ir3 Mo O11 |
SMILES | [Ir]1234([Ir]56([Ir]1([Mo]178925(C4=O)(C6=O)(C#[O])[c]2([c]1([c]7([c]8([c]92C)C)C)C)C)(C#[O])(C#[O])C#[O])(C3=O)(C#[O])C#[O])(C#[O])C#[O] |
Title of publication | Mixed-Metal Cluster Chemistry. 19. Crystallographic, Spectroscopic, Electrochemical, Spectroelectrochemical, and Theoretical Studies of Systematically Varied Tetrahedral Group 6-Iridium Clusters |
Authors of publication | Nigel T. Lucas; Jonathan P. Blitz; Simon Petrie; Robert Stranger; Mark G. Humphrey; Graham A. Heath; Vincent Otieno-Alego |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 5139 - 5153 |
a | 8.523 ± 0.004 Å |
b | 19.434 ± 0.003 Å |
c | 15.469 ± 0.003 Å |
α | 90° |
β | 91.84 ± 0.02° |
γ | 90° |
Cell volume | 2560.9 ± 1.4 Å3 |
Cell temperature | 296.2 K |
Ambient diffraction temperature | 296.2 K |
Number of distinct elements | 5 |
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 | 0.0757 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for all reflections | 0.0541 |
Weighted residual factors for all reflections included in the refinement | 0.0513 |
Goodness-of-fit parameter for all reflections | 1.901 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.169 |
Diffraction radiation wavelength | 0.7107 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/4114781.html
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