Information card for entry 4304751

Structure parameters

• Common name: [Cu3(pmap)3(C4O)4](ClO4)4.2H2O
• Formula: C64 H70 Cl4 Cu3 N12 O22
• Calculated formula: C64 H70 Cl4 Cu3 N12 O22
• Title of publication: Squarato-Metal(II) Complexes. 2. Unusual Bonding Mode for a Squarato-Bridged Trinuclear Copper(II) Complex
• Authors of publication: Ramon Vicente; Joan Cano; Eliseo Ruiz; Salah S. Massoud; Franz A. Mautner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4648 - 4655
• a: 12.554 ± 0.003 Å
• b: 14.286 ± 0.003 Å
• c: 21.448 ± 0.004 Å
• α: 108.93 ± 0.03°
• β: 103.76 ± 0.03°
• γ: 91.86 ± 0.03°
• Cell volume: 3508.9 ± 1.6 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections: 1.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No