Information card for entry 4347054

Structure parameters

• Formula: C16 H52 B22 N2 P2 Pt
• Calculated formula: C16 H52 B22 N2 P2 Pt
• SMILES: [BH]1234[BH]567[BH]891[BH]1%106(C#[N][Pt]([P](CC)(CC)CC)([N]#C[BH]6%11%12%13[BH]%14%15%16[BH]%17%18%19[BH]%20%21%22[BH]%23%24%25[BH]%26%27%28[BH]%14%17([CH]%19%22%24%26)[BH]%13%16%28[BH]%12%25%27[BH]%11%21%23[BH]6%15%18%20)[P](CC)(CC)CC)[BH]6%11%12[BH]%13%14%15[BH]516[BH]37%14[CH]14%15[BH]328[BH]%11%131[BH]9%10%123
• Title of publication: Metal Complexes with Very Large Dipole Moments: the Anionic Carborane Nitriles 12-NC-CB11X11(-) (X = H, F, CH3) as Ligands on Pt(II) and Pd(II).
• Authors of publication: Šembera, Filip; Plutnar, Jan; Higelin, Alexander; Janoušek, Zbyněk; Císařová, Ivana; Michl, Josef
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 3797 - 3806
• a: 9.6873 ± 0.0003 Å
• b: 13.0605 ± 0.0003 Å
• c: 16.8784 ± 0.0004 Å
• α: 90°
• β: 122.515 ± 0.001°
• γ: 90°
• Cell volume: 1800.74 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No