Information card for entry 7042913

Structure parameters

• Common name: Poly{bis(mu-1,2-di(4-pyridyl)ethylene)-mu5-pyrazole-3,5-dicarboxylato)dicopper(II) thiocyanate}
• Formula: C30 H21 Cu2 N7 O4 S
• Calculated formula: C30 H21 Cu2 N7 O4 S
• Title of publication: Anion-dependent self-assembly of copper coordination polymers based on pyrazole-3,5-dicarboxylate and 1,2-di(4-pyridyl)ethylene.
• Authors of publication: Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4806 - 4815
• a: 12.7346 ± 0.0009 Å
• b: 26.731 ± 0.002 Å
• c: 8.4383 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2872.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No