Information card for entry 4325814

Structure parameters

• Formula: C32 H38 Cl N9 Ni2 O12
• Calculated formula: C32 H38 Cl N9 Ni2 O12
• Title of publication: Magnetic Exchange Interactions and Magneto-Structural Correlations in Heterobridged μ-Phenoxo-μ1,1-Azide Dinickel(II) Compounds: A Combined Experimental and Theoretical Exploration
• Authors of publication: Sujit Sasmal; Susanta Hazra; Parimal Kundu; Supriya Dutta; Gopalan Rajaraman; E. Carolina Sañudo; Sasankasekhar Mohanta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7257 - 7267
• a: 17.7887 ± 0.0011 Å
• b: 15.8087 ± 0.001 Å
• c: 15.5453 ± 0.001 Å
• α: 90°
• β: 113.912 ± 0.002°
• γ: 90°
• Cell volume: 3996.4 ± 0.4 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: 0.091
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No