Information card for entry 7201580

Structure parameters

• Formula: C30 H36 N6 Ni O6
• Calculated formula: C30 H36 N6 Ni O6
• Title of publication: Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features
• Authors of publication: Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 125
• a: 16.0791 ± 0.0002 Å
• b: 10.1956 ± 0.0002 Å
• c: 18.9341 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3103.98 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No