Information card for entry 7230987

Structure parameters

• Formula: C32 H27 Cu N5 O13
• Calculated formula: C32 H27 Cu N5 O13
• Title of publication: Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study
• Authors of publication: Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 29
• Pages of publication: 4115
• a: 9.864 ± 0.002 Å
• b: 13.216 ± 0.003 Å
• c: 13.312 ± 0.003 Å
• α: 113.74 ± 0.03°
• β: 98.29 ± 0.03°
• γ: 92.58 ± 0.03°
• Cell volume: 1561.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No