Information card for entry 7011825

Structure parameters

• Formula: C1.5 H3.5 Br0.5 Cd0.25 N0.5 O S0.25
• Calculated formula: C1.5 H3.5 Br0.5 Cd0.25 N0.5 O S0.25
• Title of publication: Organically templated linear and layered cadmium sulfatesElectronic supplementary information (ESI) available: powder diffraction data for IV, view of I down the a-axis, the structure of II in the ac-plane and a polyhedral view of IV in the ab-plane. See http://www.rsc.org/suppdata/dt/b2/b204482j/
• Authors of publication: Paul, Geo; Choudhury, Amitava; Rao, C. N. R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3859
• a: 9.7782 ± 0.0009 Å
• b: 17.3 ± 0.002 Å
• c: 7.5504 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1277.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for all reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.0588
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No