Information card for entry 7102152

Structure parameters

• Formula: C40 H72 Co Mo2 N2 O22
• Calculated formula: C40 H59 Co Mo2 N2 O22
• SMILES: c12c(cc(cc1C(C)(C)C)C(C)(C)C)C[N]13CC(=O)O[Mo]3(=O)(=O)(O2)OC(C1)=[O][Co]([OH2])([OH2])([OH2])([OH2])[OH]C.c12c(cc(cc1C(C)(C)C)C(C)(C)C)C[N]13CC(=O)O[Mo]3(=O)(=O)(O2)OC(=O)C1.CO.O.O
• Title of publication: Solvent dependent assembly and disassembly of a hydrogen bonded helical structure in a Co-Mo bimetallic complex.
• Authors of publication: Khatua, Snehadrinarayan; Harada, Takunori; Kuroda, Reiko; Bhattacharjee, Manish
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 3927 - 3929
• a: 13.735 ± 0.003 Å
• b: 11.7385 ± 0.0011 Å
• c: 16.8051 ± 0.0011 Å
• α: 90°
• β: 96.542 ± 0.009°
• γ: 90°
• Cell volume: 2691.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No