Information card for entry 4329817

Structure parameters

• Formula: C28 H48 N10 Ni3 O10
• Calculated formula: C28 H44 N10 Ni3 O10
• SMILES: O.[Ni]1234([N](=N#N)[Ni]56([N](C)(C)CCC[N]5=Cc5ccccc5[O]16)([O]=C(O3)C)[OH2])[N](=N#N)[Ni]13([N](C)(C)CCC[N]1=Cc1ccccc1[O]23)([O]=C(O4)C)[OH2].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: 12.491 ± 0.005 Å
• b: 10.176 ± 0.005 Å
• c: 14.888 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.439 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1890.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No