Information card for entry 1564619

Structure parameters

• Formula: C39 H57 Cd2 N9 O13
• Calculated formula: C39 H57 Cd2 N9 O13
• Title of publication: Two new coordination polymers driven by polycarboxylate and N-donor spacers: Photocatalytic performance and theoretical analysis
• Authors of publication: Lu, Lu; Wang, Jun; Zhou, Shanhe; Zhong, Yuyu; Sun, Yanchun; Wu, Xiren; Singh, Amita; Kumar, Abhinav
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119647
• a: 7.1024 ± 0.0004 Å
• b: 14.4921 ± 0.0008 Å
• c: 22.4437 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2310.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No