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Information card for entry 4325454
Preview
Coordinates | 4325454.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H32 B2 Fe3 O9 Ru2 |
---|---|
Calculated formula | C29 H32 B2 Fe3 O9 Ru2 |
SMILES | [Ru]123456789([Ru]%10%11%12%13%14%15%16%17([Fe]%18%19%201([Fe]1%21([Fe]2%10%18([BH]%11%19)([C]3%12=O)([B]4%201[H]%21)(C#[O])C#[O])(C#[O])(C#[O])C#[O])([C]5%13=O)(C#[O])C#[O])[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C |
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 | 10.3081 ± 0.0004 Å |
b | 10.8988 ± 0.0005 Å |
c | 16.0185 ± 0.0007 Å |
α | 74.054 ± 0.004° |
β | 81.082 ± 0.003° |
γ | 67.255 ± 0.004° |
Cell volume | 1593.39 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.031 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/4325454.html
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Users of the data should acknowledge the original authors of the
structural data.