Information card for entry 2243376

Structure parameters

• Chemical name: Bis(1,2-diphenyl-2-sulfanylideneethanethiolato-κ^2^<i>S</i>,<i>S</i>')(1,3,5-triaza-7-phosphaadamantane-κ<i>P</i>)cobalt(II) dichloromethane hemisolvate
• Formula: C35 H34 Cl Co N3 P S4
• Calculated formula: C35 H34 Cl Co N3 P S4
• Title of publication: A five-coordinate cobalt bis(dithiolene)‒phosphine complex [Co(pdt)~2~(PTA)] (pdt = phenyldithiolene; PTA = 1,3,5-triaza-7-phosphaadamantane)
• Authors of publication: Williams, DaShawn; Brannon, Jacob P.; Chandrasekaran, Perumalreddy; Stieber, S. Chantal E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 736 - 741
• a: 9.0954 ± 0.0007 Å
• b: 13.4319 ± 0.0009 Å
• c: 14.7905 ± 0.001 Å
• α: 97.074 ± 0.003°
• β: 94.68 ± 0.003°
• γ: 107.354 ± 0.003°
• Cell volume: 1698.1 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes