Information card for entry 4318647

Structure parameters

• Formula: C60 H62 N4 Ni2 O13 P4
• Calculated formula: C60 H60 N4 Ni2 O13 P4
• Title of publication: Nonlinear Optically Active Polymeric Coordination Networks Based on Metalm-Pyridylphosphonates
• Authors of publication: Ponnaiyan Ayyappan; Owen R. Evans; Yong Cui; Kraig A. Wheeler; Wenbin Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4978 - 4980
• a: 16.1105 ± 0.0016 Å
• b: 54.694 ± 0.006 Å
• c: 13.8204 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12178 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No