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Information card for entry 7039467
Preview
Coordinates | 7039467.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 B9 Co |
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Calculated formula | C19 H22 B9 Co |
SMILES | [C]12345[C]678([Co]9%10%11%12%13%141([BH]1%152[BH]2%163[BH]346[BH]46%16[BH]%16%152[BH]2%101[BH]179[BH]834[BH]6%1621)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)c1c(c2c5cccc2)cccc1 |
Title of publication | Further studies of the Enhanced Structural Carborane Effect: tricarbonylruthenium and related derivatives of benzocarborane, dihydrobenzocarborane and biphenylcarborane. |
Authors of publication | Powley, Samuel L.; Rosair, Georgina M.; Welch, Alan J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 29 |
Pages of publication | 11742 - 11752 |
a | 21.4471 ± 0.0012 Å |
b | 13.2284 ± 0.0008 Å |
c | 13.4064 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3803.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/7039467.html
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Users of the data should acknowledge the original authors of the
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