Information card for entry 7031009

Structure parameters

• Formula: C56 H57 Cu2 I2 N3 O8 P2
• Calculated formula: C56 H57 Cu2 I2 N3 O8 P2
• SMILES: [Cu]12([I][Cu](I)[P](Oc3c(OC)cc(cc3)CC=C)(Oc3c(OC)cc(cc3)CC=C)N([P]2(Oc2c(OC)cc(cc2)CC=C)Oc2c(OC)cc(cc2)CC=C)c2ccccc2)[n]2ccccc2c2[n]1cccc2
• Title of publication: Dinuclear copper(I) complexes containing pyridyl-appended diazadiphosphetidines and aminobis(diphosphonite) ligands: Synthesis, structural studies and antiproliferative activity towards human cervical, human colon carcinoma and breast cancer cells
• Authors of publication: Balakrishna, Maravanji Shivaramaiah; Rashid, Aijaz; Ananthnag, Guddekoppa S.; Naik, Susmita; Mague, Joel T.; Panda, Dulal
• Journal of publication: Dalton Transactions
• Year of publication: 2014
• a: 10.918 ± 0.0009 Å
• b: 23.2001 ± 0.0018 Å
• c: 24.1557 ± 0.0019 Å
• α: 65.123 ± 0.001°
• β: 81.611 ± 0.001°
• γ: 86.293 ± 0.001°
• Cell volume: 5491.5 ± 0.8 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: 0.0716
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No