Information card for entry 4506200

Structure parameters

• Formula: C63 H39 Cl Co2 N12 O6
• Calculated formula: C63 H39 Cl Co2 N12 O6
• Title of publication: Two New Coordination Polymers with Co(II) and Mn(II): Selective Gas Adsorption and Magnetic Studies
• Authors of publication: Agarwal, Rashmi A.; Aijaz, Arshad; Ahmad, Musheer; Sañudo, E. Carolina; Xu, Qiang; Bharadwaj, Parimal K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 2999
• a: 17.031 ± 0.005 Å
• b: 17.031 ± 0.005 Å
• c: 13.922 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3497.1 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No