Information card for entry 7110495

Structure parameters

• Chemical name: bis(4,4'-bipyridine)dinitratonickel(II) 1:2 complex with pyrene
• Formula: C52 H36 N6 Ni O6
• Calculated formula: C52 H36 N6 Ni O6
• Title of publication: Covalent and noncovalent interpenetrating planar networks in the crystal structure of {[Ni(4,4′-bipyridine)2(NO3)2·2pyrene}n
• Authors of publication: Biradha, Kumar; Domasevitch, Konstantin V.; Moulton, Brian; Seward, Corey; Zaworotko, Michael J.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 1327
• a: 11.3602 ± 0.0006 Å
• b: 22.7707 ± 0.0013 Å
• c: 15.858 ± 0.0009 Å
• α: 90°
• β: 93.956 ± 0.001°
• γ: 90°
• Cell volume: 4092.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.125
• Weighted residual factors for significantly intense reflections: 0.1031
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No