Information card for entry 4119768

Structure parameters

• Formula: C6 H6 Cd N4
• Calculated formula: C6 H6 Cd N4
• Title of publication: Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2
• Authors of publication: Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 7610 - 7620
• a: 14.8002 ± 0.0007 Å
• b: 10.7012 ± 0.0005 Å
• c: 9.9666 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1578.51 ± 0.13 ų
• Cell temperature: 400 K
• Ambient diffraction temperature: 400 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No