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Information card for entry 7010824
Preview
Coordinates | 7010824.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [(SRu, RC, Spl)-chloro-(eta$6!-p-cymene)-(2-(1-N,N-dimethylaminoethyl)- 1-diphenylphosphino-ferrocene-N,P)-ruthenium(ii)] tetraphenylborate acetone diethylether solvate |
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Formula | C63.5 H70 B Cl Fe N O P Ru |
Calculated formula | C63.5 H70 B Cl Fe N O P Ru |
SMILES | [Ru]123456(Cl)([P]([c]78[Fe]9%10%11%12%13%14%15([cH]%16[cH]9[cH]%10[cH]%11[cH]%12%16)[c]7([C@H]([N]1(C)C)C)[cH]%15[cH]%14[cH]8%13)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC |
Title of publication | Hydrogen-transfer catalyzed by half-sandwich Ru(ii) aminophosphine complexesElectronic supplementary information (ESI) available: experimental details and NMR data for 1c and 2c. See http://www.rsc.org/suppdata/dt/b1/b104128m/ |
Authors of publication | Standfest-Hauser, Christina; Slugovc, Christian; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Xiao, Li; Weissensteiner, Walter |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 20 |
Pages of publication | 2989 |
a | 13.439 ± 0.006 Å |
b | 23.913 ± 0.011 Å |
c | 17.169 ± 0.008 Å |
α | 90° |
β | 90.84 ± 0.03° |
γ | 90° |
Cell volume | 5517 ± 4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 9 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.1181 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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