Information card for entry 4516137

Structure parameters

• Formula: C38 H38 Cu4 I4 N8 P2
• Calculated formula: C38 H38 Cu4 I4 N8 P2
• SMILES: c1[n]2c(ncc1)NC[P](c1ccccc1)(c1ccccc1)[Cu]134[I]5[Cu]62([I][Cu]256[I]1[Cu]4([I]3)([n]1cccnc1NC[P]2(c1ccccc1)c1ccccc1)[N]#CC)[N]#CC
• Title of publication: Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.
• Authors of publication: Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 16601 - 16614
• a: 9.636 ± 0.0002 Å
• b: 10.2333 ± 0.0003 Å
• c: 12.8232 ± 0.0003 Å
• α: 69.01 ± 0.002°
• β: 81.979 ± 0.002°
• γ: 71.386 ± 0.002°
• Cell volume: 1118.36 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0236
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No