Information card for entry 7201229

Structure parameters

• Formula: C50 H52 Cu I4 N10 O4 S2
• Calculated formula: C50 H52 Cu I4 N10 O4 S2
• Title of publication: Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides
• Authors of publication: Rajput, Lalit; Biradha, Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1220
• a: 9.008 ± 0.004 Å
• b: 10.139 ± 0.005 Å
• c: 16.671 ± 0.008 Å
• α: 92.822 ± 0.015°
• β: 104.167 ± 0.015°
• γ: 109.238 ± 0.014°
• Cell volume: 1379.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No