Information card for entry 4509027

Structure parameters

• Formula: C140 H126 Ca Fe10 N4 O20 Zn4
• Calculated formula: C140 H126 Ca Fe10 N4 O20 Zn4
• Title of publication: Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures, and Properties
• Authors of publication: Zhang, Erpeng; Hou, Hongwei; Meng, Xiangru; Liu, Yaru; Liu, Yun; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 903
• a: 10.6838 ± 0.0003 Å
• b: 16.8693 ± 0.0005 Å
• c: 18.8666 ± 0.0006 Å
• α: 73.368 ± 0.003°
• β: 74.888 ± 0.003°
• γ: 75.342 ± 0.003°
• Cell volume: 3086.3 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1113
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No