Information card for entry 7238393

Structure parameters

• Formula: C40 H44 Ca2 N8 Ni2 O23
• Calculated formula: C40 H44 Ca2 N8 Ni2 O23
• Title of publication: Syntheses, crystal structures and supramolecular topologies of nickel(II)‒s/p/d10/NH4+ complexes derived from a compartmental ligand
• Authors of publication: Sarkar, Sohini; Mohanta, Sasankasekhar
• Journal of publication: RSC Advances
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 640
• a: 16.101 ± 0.005 Å
• b: 13.981 ± 0.005 Å
• c: 13.162 ± 0.004 Å
• α: 90°
• β: 113.378 ± 0.004°
• γ: 90°
• Cell volume: 2719.6 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No