Information card for entry 7201230

Structure parameters

• Formula: C50 H52 Br4 Cu N10 O4 S2
• Calculated formula: C50 H52 Br4 Cu 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: 9.1064 ± 0.0012 Å
• b: 10.0279 ± 0.0012 Å
• c: 16.012 ± 0.002 Å
• α: 94.197 ± 0.004°
• β: 102.983 ± 0.004°
• γ: 108.093 ± 0.004°
• Cell volume: 1338.1 ± 0.3 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: 0.1991
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No