Information card for entry 4338184

Structure parameters

• Formula: C57 H81 Cl4 N21 Ni4 O26
• Calculated formula: C57 H80 Cl4 N21 Ni4 O26
• 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: 12.7195 ± 0.0006 Å
• b: 14.3046 ± 0.0007 Å
• c: 21.7466 ± 0.001 Å
• α: 91.809 ± 0.001°
• β: 93.085 ± 0.001°
• γ: 106.23 ± 0.001°
• Cell volume: 3789.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No