Information card for entry 7230979

Structure parameters

• Formula: C40 H32 Co N6 O16
• Calculated formula: C40 H32 Co N6 O16
• 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: 16.464 ± 0.003 Å
• b: 9.18 ± 0.0018 Å
• c: 25.501 ± 0.005 Å
• α: 90°
• β: 101.94 ± 0.03°
• γ: 90°
• Cell volume: 3770.8 ± 1.3 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: 0.0561
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No