Information card for entry 7205310

Structure parameters

• Formula: C54 H50 Cu3 Mo8 N12 O44 P V6
• Calculated formula: C54 H46 Cu3 Mo8 N12 O44 P V6
• Title of publication: Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands
• Authors of publication: Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 649
• a: 12.876 ± 0.003 Å
• b: 13.256 ± 0.003 Å
• c: 14.198 ± 0.003 Å
• α: 66.67 ± 0.03°
• β: 67.42 ± 0.03°
• γ: 75.36 ± 0.03°
• Cell volume: 2040.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No