Information card for entry 1561256

Structure parameters

• Formula: C25.5 H57 Cl2.5 N12 Ni2 O15.5 Re
• Calculated formula: C25.5 H48 Cl2.5 N12 Ni2 O15.5 Re
• Title of publication: Redetermination of the crystal structure of the 2D heterometallic framework prepared from [Ni(cyclam)]2+ and [Re(CN)7]3-
• Authors of publication: Sukhikh, Taisiya S.; Vostrikova, Kira E.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 258
• Pages of publication: 485 - 487
• a: 15.2674 ± 0.0005 Å
• b: 15.2674 ± 0.0005 Å
• c: 19.438 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4530.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No