Information card for entry 4340504

Structure parameters

• Formula: C40 H58 N4 Ni2 O9
• Calculated formula: C40 H58 N4 Ni2 O9
• Title of publication: On the possibility of magneto-structural correlations: detailed studies of dinickel carboxylate complexes.
• Authors of publication: Walsh, James P. S.; Sproules, Stephen; Chilton, Nicholas F.; Barra, Anne-Laure; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8464 - 8472
• a: 10.752 ± 0.0004 Å
• b: 20.1962 ± 0.0005 Å
• c: 42.5463 ± 0.001 Å
• α: 90°
• β: 92.358 ± 0.002°
• γ: 90°
• Cell volume: 9231.1 ± 0.5 ų
• Cell temperature: 105.5 ± 1 K
• Ambient diffraction temperature: 105.5 ± 1 K
• Number of distinct elements: 5
• 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: 0.0933
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No