Information card for entry 7706484

Structure parameters

• Formula: C38 H46 Cl2 N4 Ni2 O10 Zn2
• Calculated formula: C38 H46 Cl2 N4 Ni2 O10 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: 19.6732 ± 0.0005 Å
• b: 10.9932 ± 0.0002 Å
• c: 20.6092 ± 0.0003 Å
• α: 90°
• β: 91.555 ± 0.002°
• γ: 90°
• Cell volume: 4455.54 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No