Information card for entry 7045647

Structure parameters

• Formula: C104.5 H91 Cl7 Ni2 P8
• Calculated formula: C104.5 H91 Cl7 Ni2 P8
• Title of publication: Carbodiphosphorane-based nickel pincer complexes and their (de)protonated analogues: dimerisation, ligand tautomers and proton affinities.
• Authors of publication: Maser, Leon; Herritsch, Jan; Langer, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10544 - 10552
• a: 13.59 ± 0.003 Å
• b: 17.439 ± 0.004 Å
• c: 22.442 ± 0.005 Å
• α: 88.48 ± 0.03°
• β: 72.4 ± 0.03°
• γ: 67.39 ± 0.03°
• Cell volume: 4656 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No