Information card for entry 7102150

Structure parameters

• Formula: C82 H148 Co2 Mo4 N4 O44
• Calculated formula: C82 H120 Co2 Mo4 N4 O44
• SMILES: c12c(cc(cc1C(C)(C)C)C(C)(C)C)C[N]13CC(=O)O[Mo]3(=O)(=O)(O2)[O]=C(O[Co](OC2=[O][Mo]34([N](Cc5c(c(cc(c5)C(C)(C)C)C(C)(C)C)O3)(CC(=O)O4)C2)(=O)=O)(=O)(=O)(=O)=O)C1.[N]123Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[Mo]3(=O)(=O)(OC(=O)C1)OC(=O)C2.CC(C)O.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.[N]123Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[Mo]3(=O)(=O)(OC(=O)C1)OC(=O)C2.CC(C)O.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: 10.1258 ± 0.0015 Å
• b: 13.0812 ± 0.0017 Å
• c: 22.454 ± 0.01 Å
• α: 73.8 ± 0.03°
• β: 77.93 ± 0.03°
• γ: 81.742 ± 0.011°
• Cell volume: 2781.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No