Information card for entry 7020411

Structure parameters

• Formula: C51 H53 Cl2 F6 N4 P3 Pt
• Calculated formula: C51 H53 Cl2 F6 N4 P3 Pt
• SMILES: C1=[N+]2[C@@]3(CC[C@@H](C3(C)C)N1Cc1c(cccc1)[P](c1ccccc1)(c1ccccc1)[Pt]([P](c1c(C2)cccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)C.C(#N)C.C(#N)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P', κ2-P,P' and κ3-P,C,P' coordination modes.
• Authors of publication: Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12395 - 12407
• a: 11.9538 ± 0.0005 Å
• b: 14.4075 ± 0.0004 Å
• c: 29.2856 ± 0.0014 Å
• α: 90°
• β: 93.809 ± 0.002°
• γ: 90°
• Cell volume: 5032.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1889
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No