Information card for entry 7014067

Structure parameters

• Common name: (Cd(NH2C6H4SO3)2(C3H7NH2)4)(C3H7NH2)
• Formula: C27 H57 Cd N7 O6 S2
• Calculated formula: C27 H48 Cd N7 O6 S2
• Title of publication: Reversible and selective amine interactions of [Cd(mu2-N,O-p-NH2C6H4SO3)2(H2O)2]n.
• Authors of publication: Zhou, Jin-Sen; Cai, Jiwen; Wang, Li; Ng, Seik-Weng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1493 - 1497
• a: 7.9686 ± 0.0009 Å
• b: 15.4694 ± 0.0019 Å
• c: 15.7489 ± 0.0019 Å
• α: 88.932 ± 0.002°
• β: 88.548 ± 0.002°
• γ: 78.565 ± 0.002°
• Cell volume: 1902 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No