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Information card for entry 7032794
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Coordinates | 7032794.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 09083b |
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Formula | C46 H53 B Cl2 N6 Ni S |
Calculated formula | C46 H53 B Cl2 N6 Ni S |
Title of publication | Steric and electronic effects on arylthiolate coordination in the pseudotetrahedral complexes [(Tp(Ph,Me))Ni-SAr] (Tp(Ph,Me) = hydrotris{3-phenyl-5-methyl-1-pyrazolyl}borate). |
Authors of publication | Deb, Tapash; Anderson, Caitlin M.; Chattopadhyay, Swarup; Ma, Huaibo; Young, Victor G.; Jensen, Michael P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 46 |
Pages of publication | 17489 - 17499 |
a | 18.656 ± 0.006 Å |
b | 11.21 ± 0.004 Å |
c | 22.998 ± 0.008 Å |
α | 90° |
β | 113.227 ± 0.005° |
γ | 90° |
Cell volume | 4420 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0681 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.111 |
Weighted residual factors for all reflections included in the refinement | 0.1208 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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