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Information card for entry 4320741
Preview
Coordinates | 4320741.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H41 B9 P2 |
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Calculated formula | C36 H41 B9 P2 |
SMILES | [P]([BH]12[BH]345[BH]678[BH]9%103[BH]38([BH]7([P](c7ccccc7)(c7ccccc7)c7ccccc7)[BH]146)[BH]1%10([H]3)[BH]259[H]1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Isolation of a New Nonaborane Cluster Form: arachno-B9H11.(PPh3)2 |
Authors of publication | Mitsuhiro Hata; Nigam P. Rath; Lawrence Barton |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 6852 - 6854 |
a | 9.3251 ± 0.0003 Å |
b | 13.5243 ± 0.0004 Å |
c | 28.3923 ± 0.0009 Å |
α | 90° |
β | 96.556 ± 0.002° |
γ | 90° |
Cell volume | 3557.29 ± 0.19 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0702 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1265 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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