Information card for entry 2003776

Structure parameters

• Chemical name: 1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido-closo- 1,2-selenacupraoctahydrododecaborane
• Formula: C36 H40 B10 Cu2 P2 Se
• Calculated formula: C36 H40 B10 Cu2 P2 Se
• SMILES: [Se]1234[Cu]5678([Cu]9%10%11([P](c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12)[B]%12%13%147([BH]715[BH]152[BH]2%153[BH]346[BH]46%15[BH]%1552[BH]%1271[BH]%146%15[B]89%1334[H]%11)[H]%10)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>exo</i>-2,7,11-μ~3~-[Dihydro(triphenylphosphine)cuprio-2<i>Cu</i>,7<i>H</i>,11<i>H</i>]-2-triphenylphosphine-<i>closo</i>-1,2-selenacupradodecaborane(8)
• Authors of publication: Thornton-Pett, M.; Kennedy, J. D.; Breen, S. P.; Spalding, T. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1496 - 1498
• a: 12.0905 ± 0.0015 Å
• b: 12.0619 ± 0.0013 Å
• c: 13.97 ± 0.002 Å
• α: 89.416 ± 0.008°
• β: 81.601 ± 0.008°
• γ: 75.202 ± 0.008°
• Cell volume: 1947.8 ± 0.4 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.0641
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No