Information card for entry 4316582

Structure parameters

• Chemical name: 1,3-Di(tert-butyl)-2,4-di(4-methylpiperazinyl)-2,4- bis(iodo(1,10-phenanthroline-κ^2^N,N')copper(I))- [1,3,2,4]-diazadiphosphetidine tetrahydrate acetonitrile solvate
• Formula: C44 H67 Cu2 I2 N11 O4 P2
• Calculated formula: C44 H67 Cu2 I2 N11 O4 P2
• SMILES: I[Cu]1([P]2(N(C(C)(C)C)[P]([Cu]3(I)[n]4cccc5c4c4[n]3cccc4cc5)(N2C(C)(C)C)N2CCN(CC2)C)N2CCN(CC2)C)[n]2cccc3c2c2[n]1cccc2cc3.C(#N)C.O.O.O.O
• Title of publication: Dinuclear Copper(I) Complexes Containing Cyclodiphosphazane Derivatives and Pyridyl Ligands: Synthesis, Structural Studies, and Antiproliferative Activity toward Human Cervical and Breast Cancer Cells
• Authors of publication: Maravanji S. Balakrishna; D. Suresh; Ankit Rai; Joel T. Mague; Dulal Panda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8790 - 8801
• a: 12.6096 ± 0.0009 Å
• b: 14.843 ± 0.001 Å
• c: 14.939 ± 0.001 Å
• α: 103.025 ± 0.001°
• β: 92.238 ± 0.001°
• γ: 107.422 ± 0.001°
• Cell volume: 2582 ± 0.3 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: 0.0495
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No