Information card for entry 7706483

Structure parameters

• Formula: C30 H48 Cl2 N6 Ni2 O12 Zn2
• Calculated formula: C30 H48 Cl2 N6 Ni2 O12 Zn2
• Title of publication: Ferro- <i>vs.</i> antiferromagnetic exchange between two Ni(II) ions in a series of Schiff base heterometallic complexes: what makes the difference?
• Authors of publication: Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.; Bieńko, Alina; Ozarowski, Andrew
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 2841 - 2853
• a: 8.9536 ± 0.0004 Å
• b: 9.8327 ± 0.0004 Å
• c: 13.4081 ± 0.0005 Å
• α: 99.742 ± 0.003°
• β: 104.655 ± 0.004°
• γ: 113.637 ± 0.004°
• Cell volume: 996.24 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No