Information card for entry 4328877

Structure parameters

• Common name: Co-Oxybisbenzoate
• Formula: C46 H28 Co4 N6 O15
• Calculated formula: C46 H28 Co4 N6 O15
• Title of publication: Synthesis, Structure, and Magnetic Properties of a New Eight-Connected Metal-Organic Framework (MOF) based on Co4 Clusters
• Authors of publication: Debajit Sarma; Partha Mahata; Srinivasan Natarajan; Pierre Panissod; Guillaume Rogez; Marc Drillon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4495 - 4501
• a: 28.5598 ± 0.0019 Å
• b: 14.0774 ± 0.0009 Å
• c: 10.7417 ± 0.0006 Å
• α: 90°
• β: 91.123 ± 0.003°
• γ: 90°
• Cell volume: 4317.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No