Information card for entry 1540384

Structure parameters

• Common name: [CoCrL][BPh4]
• Formula: C69 H91 B Co Cr N5 O P3
• Calculated formula: C69 H91 B Co Cr N5 O P3
• SMILES: [Cr]123N(c4c([N]1(c1ccccc1N2C[P]([Co]12[N]#CC)(C(C)C)C(C)C)c5ccccc5N3C[P]2(C(C)C)C(C)C)cccc4)C[P]1(C(C)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Configuring Bonds between First-Row Transition Metals.
• Authors of publication: Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.
• Journal of publication: Accounts of chemical research
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2885 - 2894
• a: 17.8979 ± 0.0004 Å
• b: 14.3708 ± 0.0004 Å
• c: 26.8674 ± 0.0007 Å
• α: 90°
• β: 99.446 ± 0.001°
• γ: 90°
• Cell volume: 6816.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0845
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No