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Information card for entry 4060291
Preview
Coordinates | 4060291.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H55 B8 N2 Ni Si4 |
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Calculated formula | C21 H55 B8 N2 Ni Si4 |
SMILES | [Ni]12345678([C]9%10([Si](C)(C)C)[BH]%111[C]12([Si](C)(C)C)[BH]23[BH]49[BH]%10%1112)[C]12([Si](C)(C)C)[BH]35[C]46([Si](C)(C)C)[B]567[B]81([BH]2345)N(CC[N]6(C)C)C |
Title of publication | Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel |
Authors of publication | Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N. |
Journal of publication | Organometallics |
Year of publication | 2005 |
Journal volume | 24 |
Journal issue | 9 |
Pages of publication | 2177 - 2187 |
a | 17.788 ± 0.005 Å |
b | 10.13 ± 0.002 Å |
c | 21.049 ± 0.005 Å |
α | 90° |
β | 112.33 ± 0.02° |
γ | 90° |
Cell volume | 3508.4 ± 1.5 Å3 |
Cell temperature | 230 ± 2 K |
Ambient diffraction temperature | 230 ± 2 K |
Number of distinct elements | 6 |
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 | 0.051 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4060291.html
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Users of the data should acknowledge the original authors of the
structural data.