Information card for entry 4302212

Structure parameters

• Common name: {[Cu2(L)(N3)3]*H2O*0.7CH3OH}n (1)
• Formula: C13 H19 Cu2 N11 O4
• Calculated formula: C13 H19 Cu2 N11 O4
• Title of publication: Copper Coordination Polymers Based on Single-Chain or Sheet Structures Involving Dinuclear and Tetranuclear Copper(II) Units: Synthesis, Structures, and Magnetostructural Correlations
• Authors of publication: Santokh Singh Tandon; Scott D. Bunge; Douglas Motry; José Sánchez Costa; Guillem Aromí; Jan Reedijk; Laurence K. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4873 - 4881
• a: 12.1834 ± 0.001 Å
• b: 22.8445 ± 0.0018 Å
• c: 6.9771 ± 0.0006 Å
• α: 90°
• β: 102.707 ± 0.001°
• γ: 90°
• Cell volume: 1894.3 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0309
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.711
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No