Information card for entry 4332507

Structure parameters

• Chemical name: Bromobis(1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy) -[1,3,2,4]-diazadiphosphetidine)copper(I)
• Formula: C44 H64 Br Cu N4 O8 P4
• Calculated formula: C44 H64 Br Cu N4 O8 P4
• Title of publication: Copper(I) Coordination Polymers [{Cu(μ-X)}2{RP(μ-NtBu)}2]n(R = OC6H4OMe-o; X = Cl, Br, and I) and Their Reversible Conversion into Mononuclear Complexes [CuX{(RP(μ-NtBu))2}2]: Synthesis and Structural Characterization
• Authors of publication: Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6678 - 6683
• a: 9.607 ± 0.001 Å
• b: 18.694 ± 0.002 Å
• c: 14.084 ± 0.002 Å
• α: 90°
• β: 96.547 ± 0.002°
• γ: 90°
• Cell volume: 2512.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No