Information card for entry 7003262

Structure parameters

• Formula: C42 H20 F20 N4 Ni O1.5
• Calculated formula: C42 H20 F20 N4 Ni O1.5
• Title of publication: A series of metal complexes with the non-innocent N,N′-bis(pentafluorophenyl)-o-phenylenediamido ligand: twisted geometry for tuning the electronic structure
• Authors of publication: Khusniyarov, Marat M.; Harms, Klaus; Burghaus, Olaf; Sundermeyer, Jörg; Sarkar, Biprajit; Kaim, Wolfgang; van Slageren, Joris; Duboc, Carole; Fiedler, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1355 - 1365
• a: 58.619 ± 0.003 Å
• b: 15.3293 ± 0.0006 Å
• c: 8.6322 ± 0.0004 Å
• α: 90°
• β: 97.288 ± 0.003°
• γ: 90°
• Cell volume: 7694.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0878
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No