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Information card for entry 4078360
Preview
Coordinates | 4078360.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H29 B8 Ir P2 S |
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Calculated formula | C6 H29 B8 Ir P2 S |
SMILES | [IrH]1234([S]5[BH]63[BH]371[BH]182[BH]293[BH]38([BH]451)[BH]12([BH]679[H]1)[H]3)([P](C)(C)C)[P](C)(C)C |
Title of publication | Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors |
Authors of publication | Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence |
Journal of publication | Organometallics |
Year of publication | 1996 |
Journal volume | 15 |
Journal issue | 23 |
Pages of publication | 4916 |
a | 9.385 ± 0.007 Å |
b | 9.485 ± 0.007 Å |
c | 12.466 ± 0.009 Å |
α | 69.14 ± 0.05° |
β | 74.5 ± 0.05° |
γ | 63.63 ± 0.03° |
Cell volume | 921.1 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0358 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for all reflections | 0.0774 |
Weighted residual factors for significantly intense reflections | 0.0727 |
Goodness-of-fit parameter for all reflections | 1.045 |
Goodness-of-fit parameter for significantly intense reflections | 1.065 |
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/4078360.html
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