Information card for entry 1540185

Structure parameters

• Formula: C70 H83 B Cu Mn2 N2 O4 P Pt
• Calculated formula: C70 H83 B Cu Mn2 N2 O4 P Pt
• SMILES: [Pt]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)C(=O)[Mn]3456(C#[O])([cH]7[cH]3[cH]4[cH]5[cH]67)[B]2([Cu]=C2N(C=CN2c2ccc(cc2)C)c2ccc(cc2)C)[Mn]2345(C#[O])(C1=O)[cH]1[cH]2[cH]3[cH]4[cH]51.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters
• Authors of publication: Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 109
• a: 12.516 ± 0.002 Å
• b: 13.405 ± 0.003 Å
• c: 19.099 ± 0.004 Å
• α: 100.262 ± 0.005°
• β: 97.963 ± 0.005°
• γ: 95.107 ± 0.005°
• Cell volume: 3101.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0913
• 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: Yes
• Has Fobs: No