Information card for entry 7042098

Structure parameters

• Common name: no
• Chemical name: di(bis(triphenylphosphoranylidene)ammonium) titanyl tetra(acenapheno)pyrazinoporphyrazene , dichlorobenzene, benzonitrile solvate
• Formula: C149.4 H93.2 Cl2.6 N18.8 O P4 Ti
• Calculated formula: C149.4 H93.2 Cl2.6 N18.8 O P4 Ti
• Title of publication: Radical anion and dianion salts of titanyl macrocycles with acceptor substituents or an extended π-system.
• Authors of publication: Faraonov, Maxim A.; Konarev, Dmitri V.; Fatalov, Alexey M.; Khasanov, Salavat S.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3547 - 3555
• a: 36.695 ± 0.002 Å
• b: 25.1999 ± 0.0008 Å
• c: 27.4198 ± 0.0011 Å
• α: 90°
• β: 101.073 ± 0.005°
• γ: 90°
• Cell volume: 24883.3 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1984
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.2766
• Weighted residual factors for all reflections included in the refinement: 0.3277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No