Information card for entry 7230978

Structure parameters

• Formula: C90 H77 Co4 N14 O39.5
• Calculated formula: C90 H74 Co4 N14 O39.5
• 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: 15.06 ± 0.003 Å
• b: 17.24 ± 0.003 Å
• c: 18.79 ± 0.004 Å
• α: 92.09 ± 0.03°
• β: 100.49 ± 0.03°
• γ: 115.21 ± 0.03°
• Cell volume: 4304 ± 2 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: 0.125
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2352
• Weighted residual factors for all reflections included in the refinement: 0.2699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No