Information card for entry 1512896

Structure parameters

• Chemical name: dodekachloridotetrakis(4-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6- methylpyrimidine)heptacopper(2+) hexachloridodicuprate(2-)
• Formula: C52 H44 Cl18 Cu9 N20
• Calculated formula: C52 H44 Cl18 Cu9 N20
• Title of publication: Mono-, di-, tetra- and heptanuclear copper(II) complexes with 4-(3,5-di-R-1H-pyrazol-1-yl)-6-methyl-2-(pyridin-2-yl)pyrimidines (R = H, Me): Syntheses, crystal structures and electrospray ionization mass spectrometry
• Authors of publication: Mark B. Bushuev; Yuri V. Gatilov; Elena B. Nikolaenkova; Vladimir G. Vasiliev; Viktor P. Krivopalov
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 395
• Pages of publication: 95 - 103
• a: 9.743 ± 0.005 Å
• b: 13.755 ± 0.006 Å
• c: 15.437 ± 0.008 Å
• α: 65.086 ± 0.011°
• β: 82.287 ± 0.011°
• γ: 87.008 ± 0.015°
• Cell volume: 1859.3 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No