Information card for entry 4506201

Structure parameters

• Formula: C126 H78 Mn3 N24 O12
• Calculated formula: C126 H78 Mn3 N24 O12
• 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: 13.611 ± 0.005 Å
• b: 14.58 ± 0.006 Å
• c: 15.041 ± 0.004 Å
• α: 71.922 ± 0.003°
• β: 65.006 ± 0.004°
• γ: 80.586 ± 0.006°
• Cell volume: 2570 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2423
• Weighted residual factors for all reflections included in the refinement: 0.3579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No