Information card for entry 8102747

Structure parameters

• Common name: [μ -11,23-dimethyl-3,7,15,19-tetraazatricyclo-[19.3.1.19,13] tetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diol] dicopper carbonate terephthalic methanol
• Chemical name: [μ-11,23-dimethyl-3,7,15,19-tetraazatricyclo-[19.3.1.19,13] tetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diol] dicopper carbonate terephthalic methanol
• Formula: C30 H45 Cu2 N4 O10
• Calculated formula: C30 H45 Cu2 N4 O10
• Title of publication: Crystal structure of aqua[m-11,23-dimethyl-3,7,15,19-tetraazatricyclo-[19.3.1.19,13]tetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diol]dicopper(II) carbonate — terephthalic acid — methanol — water (1:0.5:1:1), [Cu2(C24H34N4O2)(H2O)][CO3] · 0.5C8H6O4 · CH3OH · H2O
• Authors of publication: Huan-Huan Chen; Jin Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 475
• a: 11.657 ± 0.005 Å
• b: 12.172 ± 0.005 Å
• c: 13.318 ± 0.005 Å
• α: 103.577 ± 0.005°
• β: 108.341 ± 0.005°
• γ: 107.646 ± 0.005°
• Cell volume: 1591.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No