Information card for entry 1515999

Structure parameters

• Formula: C61 H48 Cl Fe O3 P2 Rh
• Calculated formula: C61 H48 Cl Fe O3 P2 Rh
• SMILES: [Rh]1(Cl)([P](c2cccc(c2)[c]23[Fe]456789%10([c]%11([cH]7[cH]6[c]5([cH]4%11)c4ccc(OC)cc4)c4cc([P]1(c1ccccc1)c1ccccc1)ccc4)[cH]2[c]8([cH]9[cH]3%10)c1ccc(OC)cc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Toward autonomously operating molecular machines driven by transition-metal catalyst.
• Authors of publication: Tanaka, Kenichi; Kinbara, Kazushi
• Journal of publication: Molecular bioSystems
• Year of publication: 2008
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 512 - 514
• a: 9.356 ± 0.002 Å
• b: 10.965 ± 0.002 Å
• c: 12.863 ± 0.003 Å
• α: 75.982 ± 0.007°
• β: 74.937 ± 0.007°
• γ: 78.025 ± 0.007°
• Cell volume: 1221.5 ± 0.4 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for all reflections included in the refinement: 0.0266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No