Information card for entry 7025663

Structure parameters

• Formula: C44 H40 Cu3 N6 O20
• Calculated formula: C44 H40 Cu3 N6 O20
• Title of publication: Multi-dimensional transition-metal coordination polymers with 5-nitro-1,2,3-benzenetricarboxylic acid exhibiting ferro-/antiferromagnetic interactions.
• Authors of publication: Ma, Lu-Fang; Meng, Qing-Lei; Wang, Li-Ya; Liu, Bin; Liang, Fu-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8210 - 8218
• a: 5.7813 ± 0.0009 Å
• b: 13.309 ± 0.002 Å
• c: 16.417 ± 0.002 Å
• α: 107.004 ± 0.002°
• β: 99.633 ± 0.002°
• γ: 98.489 ± 0.002°
• Cell volume: 1164.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.048
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No