Information card for entry 4329222

Structure parameters

• Formula: C71 H70 Ag B F4 O P4
• Calculated formula: C71 H70 Ag B F4 O P4
• SMILES: [Ag]12([P](c3c(cccc3)CC)(c3c(cccc3)CC)c3ccccc3[P]1(c1c(cccc1)CC)c1c(cccc1)CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].O=C(C)C
• Title of publication: Photoluminescence Properties, Molecular Structures, and Theoretical Study of Heteroleptic Silver(I) Complexes Containing Diphosphine Ligands
• Authors of publication: Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Mikio Hoshino; Masahisa Osawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5805 - 5813
• a: 12.1201 ± 0.0019 Å
• b: 15.932 ± 0.002 Å
• c: 16.068 ± 0.002 Å
• α: 90°
• β: 103.161 ± 0.002°
• γ: 90°
• Cell volume: 3021.2 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No