Information card for entry 7035766

Structure parameters

• Common name: NiHttfasbz
• Formula: C24 H19 F3 N4 Ni S5
• Calculated formula: C24 H19 F3 N4 Ni S5
• SMILES: [Ni]123[N](N=C(S2)SCc2ccccc2)=C(CC(=N[N]3=C(SCc2ccccc2)S1)c1sccc1)C(F)(F)F
• Title of publication: A nickel complex of a conjugated bis-dithiocarbazate Schiff base for the photocatalytic production of hydrogen.
• Authors of publication: Wise, Catherine F.; Liu, Dan; Mayer, Kathryn J.; Crossland, Patrick M.; Hartley, Carolyn L.; McNamara, William R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14265 - 14271
• a: 8.8108 ± 0.0003 Å
• b: 31.9395 ± 0.0009 Å
• c: 27.7375 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7805.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No