Information card for entry 7031105

Structure parameters

• Formula: C27 H46 Ag B10 Cl2 F3 N2 O4 P2 S
• Calculated formula: C27 H46 Ag B10 Cl2 F3 N2 O4 P2 S
• SMILES: [Ag]12([n]3cccc4C(=O)c5ccc[n]1c5c34)[P]([C]1345[BH]678[BH]9%101[BH]1%113[BH]3%124[BH]4%13%14[BH]%156([BH]679[BH]7%101[BH]%1134[BH]%13%1567)[C]58%12%14[P]2(C(C)C)C(C)C)(C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl
• Title of publication: A comparative study of structural patterns and luminescent properties of silver-DAFO complexes with carborane- versus "classical"-diphosphanes.
• Authors of publication: Crespo, Olga; Gimeno, M Concepción; Laguna, Antonio; Marriott, Rosie; Sáez-Rocher, José M; Villacampa, M. Dolores
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12214 - 12220
• a: 10.55 ± 0.002 Å
• b: 11.13 ± 0.002 Å
• c: 18.14 ± 0.004 Å
• α: 73.23 ± 0.03°
• β: 80.37 ± 0.03°
• γ: 78.91 ± 0.03°
• Cell volume: 1987.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No