Information card for entry 4503919

Structure parameters

• Common name: Compound 1 DCBCDH
• Formula: C12.6 H10.6 Cd N5 O0.2 S2
• Calculated formula: C12 H9 Cd N5 S2
• Title of publication: Six-Coordinated Cd(II) Centers as Four- or Six-Connected Nodes in Coordination Polymer Networks Containing Bis(4-pyridyl)amine
• Authors of publication: Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 328
• a: 21.9952 ± 0.001 Å
• b: 10.1725 ± 0.0005 Å
• c: 7.6396 ± 0.0003 Å
• α: 90°
• β: 97.608 ± 0.003°
• γ: 90°
• Cell volume: 1694.28 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No