Information card for entry 7051358

Structure parameters

• Formula: C14 H62 B32 Cl2 N4 Se6
• Calculated formula: C14 H62 B32 Cl2 N4 Se6
• SMILES: [Se]1[C]2345[C]678([Se][B]91[Se][C]1%10%11%12[C]%13%14%15([Se][B]%169[Se][C]9%17%18%19[C]%20%21%22([Se]%16)[BH]%16%239[BH]9%24%17[BH]%17%25%16[BH]%16%269[BH]9%27%17[BH]%17%28%16[BH]%209([BH]%18%21%17[BH]%19%24%26%28)[BH]%22%23%25%27)[BH]9%161[BH]1%17%10[BH]%10%189[BH]9%191[BH]1%20%10[BH]%10%219[BH]%131([BH]%11%14%10[BH]%12%17%19%21)[BH]%15%16%18%20)[BH]192[BH]2%106[BH]6%111[BH]1%122[BH]2%136[BH]6%141[BH]32([BH]476[BH]8%10%12%14)[BH]59%11%13.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[Cl-].[Cl-]
• Title of publication: Diborane(4) compounds incorporating thio- and seleno-carboranyl groups
• Authors of publication: Norman, Nicholas C.; Guy Orpen, A.; Quayle, Michael J.; Rice, Craig R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 837
• a: 19.521 ± 0.006 Å
• b: 21.945 ± 0.005 Å
• c: 11.965 ± 0.002 Å
• α: 90°
• β: 103.803 ± 0.014°
• γ: 90°
• Cell volume: 4978 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1433
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections: 0.1829
• Weighted residual factors for significantly intense reflections: 0.144
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No