Information card for entry 4338185

Structure parameters

• Formula: C55.67 H83.34 Cl4 N20 Ni4 O28
• Calculated formula: C55.672 H81.344 Cl4 N20 Ni4 O28
• Title of publication: Hydroxide-Bridged Cubane Complexes of Nickel(II) and Cadmium(II): Magnetic, EPR, and Unusual Dynamic Properties.
• Authors of publication: Reger, Daniel L.; Pascui, Andrea E.; Pellechia, Perry J.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4325 - 4339
• a: 21.7442 ± 0.0012 Å
• b: 17.5713 ± 0.001 Å
• c: 22.1788 ± 0.0012 Å
• α: 90°
• β: 115.89 ± 0.001°
• γ: 90°
• Cell volume: 7623.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No