Information card for entry 4337176

Structure parameters

• Formula: C47 H40 Cu I N2 P2
• Calculated formula: C47 H40 Cu I N2 P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)Cc2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(C[P](c4ccccc4)(c4ccccc4)[Cu]1I)[nH]3)[nH]2
• Title of publication: Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu-X···HN Hydrogen Bonds.
• Authors of publication: Kumar, Shanish; Mani, Ganesan; Dutta, Debodyuti; Mishra, Sabyashachi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 700 - 709
• a: 9.5043 ± 0.0014 Å
• b: 11.7029 ± 0.0018 Å
• c: 19.291 ± 0.003 Å
• α: 76.012 ± 0.005°
• β: 85.609 ± 0.005°
• γ: 75.171 ± 0.005°
• Cell volume: 2012.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No