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Information card for entry 2006174
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Coordinates | 2006174.cif |
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Original IUCr paper | HTML |
Chemical name | {2,7-μ-thiobenzoate}-{3,7-μ-thiobenzoate}-7-(triphenyl-phosphine)-nido- 7-nickelaundecaborane |
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Formula | C36 H42 B10 Ni O2 P S2 |
Calculated formula | C35 H35 B10 Ni O2 P S2 |
Title of publication | <i>ortho</i>-Cycloboronation of a Thiobenzoate Cluster: [(PPh~3~)(PhCṟidge{OS)_{2}NiB}{12.5mm}~10~H~10~].0.5C~6~H~14~ |
Authors of publication | Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Wen Li; Ruo-Shui Jin; Pei-Ju Zheng |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 6 |
Pages of publication | 695 - 697 |
a | 11.043 ± 0.005 Å |
b | 15.524 ± 0.003 Å |
c | 23.016 ± 0.003 Å |
α | 90 ± 0.02° |
β | 91.28 ± 0.02° |
γ | 90 ± 0.03° |
Cell volume | 3945 ± 2 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.074 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for all reflections | 0.1578 |
Weighted residual factors for significantly intense reflections | 0.1253 |
Goodness-of-fit parameter for all reflections | 0.986 |
Goodness-of-fit parameter for significantly intense reflections | 0.936 |
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/2006174.html
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