Information card for entry 7230985

Structure parameters

• Formula: C18 H11.5 N2 O10.25 Zn
• Calculated formula: C18 H11 N2 O10.25 Zn
• 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: 16.827 ± 0.003 Å
• b: 28.485 ± 0.006 Å
• c: 7.4 ± 0.0015 Å
• α: 90°
• β: 90.71 ± 0.03°
• γ: 90°
• Cell volume: 3546.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2614
• Weighted residual factors for all reflections included in the refinement: 0.2687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No