Information card for entry 7201609

Structure parameters

• Common name: [Cu(O2CCCCO2)(py)2(MeOH)
• Chemical name: [acetylenedicarboxylato-methanol-bis-pyridine-copper(II)]
• Formula: C15 H14 Cu N2 O5
• Calculated formula: C15 H14 Cu N2 O5
• Title of publication: Steric control of 4-connected network topology in hydrogen bonded coordination polymers
• Authors of publication: Turner, David R.; Strachan-Hatton, Joshua; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 34
• a: 7.8631 ± 0.0002 Å
• b: 14.278 ± 0.0003 Å
• c: 14.3028 ± 0.0003 Å
• α: 90°
• β: 104.829 ± 0.001°
• γ: 90°
• Cell volume: 1552.28 ± 0.06 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No