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Information card for entry 7700075
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Coordinates | 7700075.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [TpBa(Ph2CCH2CCH3Ph2)] |
---|---|
Formula | C76 H95 B Ba N6 |
Calculated formula | C76 H95 B Ba N6 |
Title of publication | Reversible addition and hydrogenation of 1,1-diphenylethylene with a barium complex. |
Authors of publication | Shi, Xianghui; Cheng, Jianhua |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 24 |
Pages of publication | 8565 - 8568 |
a | 12.9194 ± 0.0019 Å |
b | 15.11 ± 0.002 Å |
c | 18.808 ± 0.003 Å |
α | 81.415 ± 0.003° |
β | 85.327 ± 0.002° |
γ | 66.844 ± 0.003° |
Cell volume | 3336.9 ± 0.9 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0983 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.1195 |
Weighted residual factors for all reflections included in the refinement | 0.1367 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
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/7700075.html
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