Information card for entry 7003018

Structure parameters

• Formula: C45 H74 Co P3
• Calculated formula: C45 H74 Co P3
• SMILES: [Co]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[C](c3c(c4cc(c(cc4C(C)C)C(C)C)c4c(cccc4C(C)C)C(C)C)c(ccc3)C(C)C)(=[CH2]1)C2
• Title of publication: Reduction of terphenyl iron(ii) or cobalt(ii) halides in the presence of trimethylphosphine: an unusual triple dehydrogenation of an alkyl group
• Authors of publication: Ni, Chengbao; Ellis, Bobby D.; Stich, Troy A.; Fettinger, James C.; Long, Gary J.; Britt, R. David; Power, Philip P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 27
• Pages of publication: 5401 - 5405
• a: 19.466 ± 0.003 Å
• b: 14.368 ± 0.003 Å
• c: 16.471 ± 0.003 Å
• α: 90°
• β: 106.466 ± 0.003°
• γ: 90°
• Cell volume: 4417.8 ± 1.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.1078
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No