Information card for entry 7050526

Structure parameters

• Formula: C16 H20 N14 Ni
• Calculated formula: C16 H20 N14 Ni
• SMILES: C(=NC#N)=N[Ni]12([N]3=C(C4=[N]1CCN4)NCC3)(N=C=NC#N)[N]1=C(C3=[N]2CCN3)NCC1
• Title of publication: The binding mode of the ambidentate ligand dicyanamide to transition metal ions can be tuned by bisimidazoline ligands with H-bonding donor property at the rear side of the ligandElectronic supplementary information (ESI) available: atomic displacement plot of structure 2. See http://www.rsc.org/suppdata/nj/b2/b212059c/
• Authors of publication: Mohamadou, Aminou; van Albada, Gerard A.; Kooijman, Huub; Wieczorek, Birgit; Spek, Anthony L.; Reedijk, Jan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 983
• a: 16.4081 ± 0.0016 Å
• b: 6.7991 ± 0.0008 Å
• c: 17.965 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2004.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No