Information card for entry 7015431

Structure parameters

• Formula: C40 H50 N4 Ni2 O7
• Calculated formula: C40 H50 N4 Ni2 O7
• SMILES: [Ni]12345([Ni]67([O]1c1c(C=[N]6CCC[N]7(C)C)cccc1)([O]2c1c(C=[N]4CCC[N]5(C)C)cccc1)([OH2]3)OC(=O)Cc1ccccc1)OC(=O)Cc1ccccc1
• Title of publication: The importance of an additional water bridge in making the exchange coupling of bis(μ-phenoxo) dinickel(ii)complexes ferromagnetic.
• Authors of publication: Biswas, Rituparna; Kar, Paramita; Song, You; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 19
• Pages of publication: 5324 - 5331
• a: 10.351 ± 0.003 Å
• b: 18.545 ± 0.005 Å
• c: 22.502 ± 0.006 Å
• α: 68.265 ± 0.007°
• β: 87.141 ± 0.008°
• γ: 83.82 ± 0.007°
• Cell volume: 3988.8 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No