Information card for entry 7205079

Structure parameters

• Formula: C73.33 H74.07 Cl12 Mn4 N14 Nb6 O13.7
• Calculated formula: C71.34 H62.68 Cl12 Mn4 N14 Nb6 O10
• Title of publication: Self-assembly and solvent-mediated structural transformation of one-dimensional cluster-based coordination polymer
• Authors of publication: Zhang, Jian-Jun; Day, Cynthia S.; Lachgar, Abdessadek
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 133
• a: 12.606 ± 0.003 Å
• b: 13.815 ± 0.003 Å
• c: 14.013 ± 0.003 Å
• α: 78.919 ± 0.002°
• β: 86.321 ± 0.002°
• γ: 87.03 ± 0.002°
• Cell volume: 2388 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No