Information card for entry 7004208

Structure parameters

• Formula: C41 H88 Cl2 Cu4 I4 N14 P4
• Calculated formula: C41 H88 Cl2 Cu4 I4 N14 P4
• Title of publication: Novel octanuclear copper(i) metallomacrocycles and their transformation into hexanuclear 2-dimensional grids of copper(i) coordination polymers containing cyclodiphosphazanes, [(μ-NtBuP)2(NC4H8X)2] (X = NMe, O)
• Authors of publication: Suresh, D.; Balakrishna, Maravanji S.; Mague, Joel T.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 3272 - 3274
• a: 10.2608 ± 0.0008 Å
• b: 18.556 ± 0.001 Å
• c: 18.541 ± 0.001 Å
• α: 68.787 ± 0.001°
• β: 80.755 ± 0.001°
• γ: 81.243 ± 0.001°
• Cell volume: 3231.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No