Information card for entry 4328589

Structure parameters

• Common name: (3)
• Formula: C58 H85 N19 Ni6 O24
• Calculated formula: C54 H74 N18 Ni6 O22
• Title of publication: Structures and Magnetic Properties of an Antiferromagnetically Coupled Polymeric Copper(II) Complex and Ferromagnetically Coupled Hexanuclear Nickel(II) Clusters
• Authors of publication: Santokh S. Tandon; Scott D. Bunge; Joaquin Sanchiz; Laurence K. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3270 - 3282
• a: 13.1039 ± 0.0009 Å
• b: 14.0634 ± 0.001 Å
• c: 21.9161 ± 0.0015 Å
• α: 84.998 ± 0.001°
• β: 88.477 ± 0.001°
• γ: 64.333 ± 0.001°
• Cell volume: 3626.1 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No