Information card for entry 7057130

Structure parameters

• Formula: C32 H37 N7 Ni2 O4 S2
• Calculated formula: C32 H37 N7 Ni2 O4 S2
• 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: 10.4384 ± 0.0009 Å
• b: 11.4113 ± 0.001 Å
• c: 15.062 ± 0.0014 Å
• α: 76.527 ± 0.005°
• β: 79.072 ± 0.004°
• γ: 77.323 ± 0.004°
• Cell volume: 1684 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No