Information card for entry 2104587

Structure parameters

• Chemical name: (Acetylacetonato)-(N,N'-bis(2,6-bis(3,5-difluorophenyl)phenyl)-1,4-diaza- 2,3-dimethylbutadiene)-nickel(ii) tetrakis(pentafluorophenyl)borate dichloromethane solvent
• Formula: C70 H33 B Cl2 F28 N2 Ni O2
• Calculated formula: C70 H30 B Cl2 F28 N2 Ni O2
• SMILES: [Ni]12(OC(=CC(=[O]2)C)C)[N](=C(C(=[N]1c1c(cccc1c1cc(cc(c1)F)F)c1cc(cc(c1)F)F)C)C)c1c(cccc1c1cc(cc(c1)F)F)c1cc(cc(c1)F)F.C(Cl)Cl.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 13.518 ± 0.003 Å
• b: 14.663 ± 0.003 Å
• c: 16.499 ± 0.003 Å
• α: 92.87 ± 0.03°
• β: 90.92 ± 0.03°
• γ: 94.06 ± 0.03°
• Cell volume: 3257.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No