Information card for entry 7013954

Structure parameters

• Formula: C31 H29 Cl Ni P2 S2 Ti
• Calculated formula: C31 H29 Cl Ni P2 S2 Ti
• SMILES: [Ni]12(S[Ti]3456(Cl)(S1)[cH]1[cH]3[cH]6[cH]5[cH]41)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.
• Authors of publication: Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1618 - 1625
• a: 11.898 ± 0.005 Å
• b: 18.473 ± 0.008 Å
• c: 14.368 ± 0.006 Å
• α: 90°
• β: 112.188 ± 0.005°
• γ: 90°
• Cell volume: 2924 ± 2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No