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Information card for entry 7121172
Preview
Coordinates | 7121172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H32 B Mo N7 O2 |
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Calculated formula | C30 H32 B Mo N7 O2 |
SMILES | [Mo]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(#CN(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
Title of publication | A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh<sub>2</sub>)(CO)<sub>2</sub>(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate). |
Authors of publication | Frogley, Benjamin J.; Hill, Anthony F. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 17 |
Pages of publication | 2126 - 2129 |
a | 8.0189 ± 0.0001 Å |
b | 10.2181 ± 0.0002 Å |
c | 18.5046 ± 0.0004 Å |
α | 77.57 ± 0.002° |
β | 87.661 ± 0.002° |
γ | 80.033 ± 0.002° |
Cell volume | 1458.33 ± 0.05 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 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 | 0.0259 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0626 |
Weighted residual factors for all reflections included in the refinement | 0.0634 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
228217 (current) | 2019-11-17 | cif/ Updating files of 7121172, 7121173, 7121174, 7121175, 7121176, 7121177 Original log message: Adding full bibliography for 7121172--7121177.cif. |
7121172.cif |
205474 | 2018-01-23 | cif/ Adding structures of 7121172, 7121173, 7121174, 7121175, 7121176, 7121177 via cif-deposit CGI script. |
7121172.cif |
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Users of the data should acknowledge the original authors of the
structural data.