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Information card for entry 1575071
Preview
Coordinates | 1575071.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H24 B10 S3 Ti |
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Calculated formula | C12 H24 B10 S3 Ti |
Title of publication | Cluster versus coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C2B10H12−n(SH)n] (n = 2 or 3) |
Authors of publication | Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal |
Journal of publication | Chemical Science |
Year of publication | 2025 |
a | 12.0927 ± 0.0005 Å |
b | 12.8115 ± 0.0006 Å |
c | 26.9444 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4174.4 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0864 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1038 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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301215 (current) | 2025-07-11 | cif/ Adding structures of 1575071, 1575072, 1575073, 1575074, 1575075, 1575076 via cif-deposit CGI script. |
1575071.cif |
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Users of the data should acknowledge the original authors of the
structural data.