Information card for entry 7010610

Structure parameters

• Formula: C7 H15 Cd N5 Se2
• Calculated formula: C7 H15 Cd N5 Se2
• Title of publication: Synthesis and crystal structure of selenocyanato bridged two dimensional supramolecular coordination compounds of cadmium(ii)Electronic supplementary information (ESI) available: Corey–Pauling–Koltun diagram of 2. See http://www.rsc.org/suppdata/dt/b1/b101064f/
• Authors of publication: Maji, Tapas Kumar; Sain, Saugata; Mostafa, Golam; Das, Debasis; Lu, Tian-Huey; Chaudhuri, Nirmalendu Ray
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 3149
• a: 11.357 ± 0.002 Å
• b: 12.311 ± 0.002 Å
• c: 19.422 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2715.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.0832
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No