Information card for entry 7003479

Structure parameters

• Formula: C18 H14 N2 Ni O6
• Calculated formula: C18 H14 N2 Ni O6
• Title of publication: Polytypism, homochirality, interpenetration, and hydrogen-bonding in transition metal (Mn(ii), Ni(ii), Cu(ii), Zn(ii)) 5-hydroxyisophthalate coordination polymers containing 4,4′-bipyridyl
• Authors of publication: Feller, Russell K.; Cheetham, Anthony K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 2034 - 2042
• a: 11.2217 ± 0.0007 Å
• b: 11.2217 ± 0.0007 Å
• c: 25.029 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2729.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No