Information card for entry 2215005

Structure parameters

• Common name: Bis[chloridobis(triphenylphosphine)copper(I)-μ-chlorido]\ bis(1,2-diaminopropane)copper(II) acetonitrile disolvate
• Chemical name: bis(1,2-diaminopropane-2κ^2^N,N')di-μ-chlorido-1:2κ^2^Cl,2:3κ^2^Cl- dichlorido-1κCl,3κCl-tetrakis(triphenylphosphine)-1κ^2^P,3κ^2^P- tricopper(I,II,I) acetonitrile disolvate
• Formula: C82 H86 Cl4 Cu3 N6 P4
• Calculated formula: C82 H86 Cl4 Cu3 N6 P4
• Title of publication: Bis[chloridobis(triphenylphosphine)copper(I)-μ-chlorido]bis(1,2-diaminopropane)copper(II) acetonitrile disolvate
• Authors of publication: Habibi, Mohammad Hossein; Mikhak, Maryam; Harrington, Ross W.; Clegg, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2305 - m2306
• a: 15.896 ± 0.003 Å
• b: 9.4181 ± 0.0015 Å
• c: 26.533 ± 0.004 Å
• α: 90°
• β: 94.957 ± 0.012°
• γ: 90°
• Cell volume: 3957.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes