Information card for entry 1543185

Structure parameters

• Formula: C30 H44 B20 P2 Pt
• Calculated formula: C30 H44 B20 P2 Pt
• SMILES: [Pt]12([C]3456[BH]789[BH]%10%11%12[BH]%13%14%15[BH]%163([BH]3%174[BH]4%13%16[BH]%13%10%14[BH]%107%11[BH]583[BH]%174%13%10)[C]69%12%15[C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[BH]5%14%15[BH]%167([BH]78%10[BH]8%113[BH]%1245[BH]%14%1678)[C]269%13%15)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Luminescent metal complexes featuring photophysically innocent boron cluster ligands
• Authors of publication: Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 5132
• a: 11.2436 ± 0.0008 Å
• b: 13.3586 ± 0.001 Å
• c: 15.2381 ± 0.0011 Å
• α: 102.533 ± 0.001°
• β: 106.157 ± 0.001°
• γ: 111.37 ± 0.001°
• Cell volume: 1913.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No