Information card for entry 7057132

Structure parameters

• Formula: C64 H76 Cl2 Cu N16 Ni4 O20
• Calculated formula: C64 H76 Cl2 Cu N16 Ni4 O20
• Title of publication: Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties
• Authors of publication: Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 6332
• a: 15.3234 ± 0.0004 Å
• b: 15.4364 ± 0.0004 Å
• c: 15.7415 ± 0.0003 Å
• α: 83.393 ± 0.002°
• β: 78.868 ± 0.002°
• γ: 85.688 ± 0.002°
• Cell volume: 3623.78 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No