Information card for entry 4329818

Structure parameters

• Formula: C12 H17 N5 Ni O
• Calculated formula: C12 H17 N5 Ni O
• Title of publication: A Rare Phenoxido/Acetato/Azido Bridged Trinuclear and an Unprecedented Phenoxido/Azido Bridged One-Dimensional Polynuclear Nickel(II) Complexes: Synthesis, Crystal Structure, and Magnetic Properties with Theoretical Investigations on the Exchange Mechanism
• Authors of publication: Rituparna Biswas; Sandip Mukherjee; Paramita Kar; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8150 - 8160
• a: 17.8499 ± 0.0018 Å
• b: 13.259 ± 0.0013 Å
• c: 11.9339 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2824.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No