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Information card for entry 7031942
Preview
Coordinates | 7031942.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H44 B2 Cd2 Cl2 N12 S6 |
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Calculated formula | C48 H44 B2 Cd2 Cl2 N12 S6 |
SMILES | [BH]12N3C(=[S][Cd]4([Cl][Cd]56([Cl]4)[S]=C4N([BH](N7C(=[S]5)N(c5c7cccc5)C)N5C(=[S]6)N(c6c5cccc6)C)c5c(cccc5)N4C)([S]=C4N1c1c(cccc1)N4C)[S]=C1N2c2c(N1C)cccc2)N(c1c3cccc1)C |
Title of publication | Synthesis and structural characterization of tris(2-mercapto-1-methylbenzimidazolyl)hydroborato cadmium halide complexes, {[Tm(MeBenz)]Cd(μ-Cl)}2 and [Tm(MeBenz)]CdI: a rare example of cadmium in a trigonal bipyramidal sulfur-rich coordination environment. |
Authors of publication | Palmer, Joshua H.; Parkin, Gerard |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 37 |
Pages of publication | 13874 - 13882 |
a | 11.242 ± 0.006 Å |
b | 11.922 ± 0.006 Å |
c | 12.005 ± 0.006 Å |
α | 79.932 ± 0.007° |
β | 82.909 ± 0.008° |
γ | 62.842 ± 0.007° |
Cell volume | 1407.8 ± 1.3 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1034 |
Residual factor for significantly intense reflections | 0.0711 |
Weighted residual factors for significantly intense reflections | 0.1679 |
Weighted residual factors for all reflections included in the refinement | 0.1873 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7031942.html
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