Information card for entry 7128615

Structure parameters

• Common name: CdNiCP_HTphase
• Formula: C24 H16 Cd0.17 N2 Ni0.83 O4
• Calculated formula: C24 H16 Cd0.17 N2 Ni0.83 O4
• Title of publication: Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.
• Authors of publication: van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 62
• Pages of publication: 7693 - 7696
• a: 7.6318 ± 0.0015 Å
• b: 26.288 ± 0.006 Å
• c: 16.739 ± 0.004 Å
• α: 90°
• β: 98.895 ± 0.007°
• γ: 90°
• Cell volume: 3317.9 ± 1.3 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No