Information card for entry 4316581

Structure parameters

• Chemical name: (1,3-di(tert-butyl)-2,4-bis(N-morpholino)-2,4-bis[iodo (1,10-phenanthroline-κ^2^N,N')copper(I)][1,3,2,4] diazadiphosphetidine acetonotrile solvate
• Formula: C42 H53 Cu2 I2 N9 O2 P2
• Calculated formula: C42 H53 Cu2 I2 N9 O2 P2
• SMILES: I[Cu]1([P]2(N([P]([Cu]3(I)[n]4cccc5ccc6ccc[n]3c6c45)(N2C(C)(C)C)N2CCOCC2)C(C)(C)C)N2CCOCC2)[n]2cccc3c2c2[n]1cccc2cc3.CC#N
• 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: 18.9807 ± 0.0007 Å
• b: 10.1871 ± 0.0004 Å
• c: 25.6733 ± 0.0009 Å
• α: 90°
• β: 98.252 ± 0.001°
• γ: 90°
• Cell volume: 4912.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0252
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No