Information card for entry 7007942

Structure parameters

• Formula: C64 H104 Cl2 N4 Ni2 O21
• Calculated formula: C64 H102 Cl2 N4 Ni2 O21
• Title of publication: Dinuclear complexes of a pseudocalixarene macrocycle: structural consequences of intramolecular hydrogen bonding.
• Authors of publication: Fontecha, Julia Barreira; Goetz, Sandrine; McKee, Vickie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 5
• Pages of publication: 923 - 929
• a: 27.9805 ± 0.0012 Å
• b: 13.705 ± 0.0006 Å
• c: 18.8743 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7237.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No