Information card for entry 4302525

Structure parameters

• Common name: {[Ni(pdtc)]3S} (Et4N)2 .CH2Cl2
• Formula: C38 H51 Cl2 N5 Ni3 O6 S7
• Calculated formula: C38 H51 Cl2 N5 Ni3 O6 S7
• Title of publication: Cleavage of Ni-(μ2-S)-Ni Bridges in Dinuclear Nickel(II) Dithiolate Pincer Complexes and Related Reactions
• Authors of publication: Deguang Huang; Liang Deng; Jibin Sun; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6159 - 6166
• a: 11.409 ± 0.0011 Å
• b: 12.371 ± 0.0011 Å
• c: 17.7857 ± 0.0017 Å
• α: 93.198 ± 0.002°
• β: 99.185 ± 0.002°
• γ: 104.338 ± 0.002°
• Cell volume: 2389 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0722
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No