Information card for entry 1520076

Structure parameters

• Formula: C108 H108 Ag2 B20 P6
• Calculated formula: C108 H108 Ag2 B20 P6
• SMILES: [Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[BH]1234[B]5678([BH]9%101[BH]1%112[BH]235[BH]35%11[BH]%11%101[BH]169[BH]723[BH]5%111)[BH]123[B]56748[BH]481[BH]192[BH]235[BH]359[BH]981[BH]164[BH]723[BH]591
• Title of publication: Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane
• Authors of publication: Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 46
• Pages of publication: 8870
• a: 12.828 ± 0.0006 Å
• b: 25.0953 ± 0.0011 Å
• c: 21.3666 ± 0.0009 Å
• α: 90°
• β: 131.748 ± 0.001°
• γ: 90°
• Cell volume: 5131.8 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No