Information card for entry 7211336

Structure parameters

• Formula: C16 H21 Cu2 N5 O5
• Calculated formula: C16 H21.228 Cu2 N5 O5
• Title of publication: Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition
• Authors of publication: Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9530
• a: 10.978 ± 0.0003 Å
• b: 10.978 ± 0.0003 Å
• c: 9.1059 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.41 ± 0.06 ų
• Cell temperature: 440 ± 2 K
• Ambient diffraction temperature: 440 ± 2 K
• Number of distinct elements: 5
• Space group number: 102
• Hermann-Mauguin space group symbol: P 42 n m
• Hall space group symbol: P 4n -2n
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No