Information card for entry 7037704

Structure parameters

• Formula: C17 H30 Cl2 N2 Ni O2 S
• Calculated formula: C17 H30 Cl2 N2 Ni O2 S
• SMILES: [Ni]12(Cl)(Cl)([S](Cc3ccccc3)CC[NH]1CC[N]12CCOCC1)[OH]CC
• Title of publication: First-row transition metal complexes of ENENES ligands: the ability of the thioether donor to impact the coordination chemistry.
• Authors of publication: Dub, Pavel A.; Scott, Brian L.; Gordon, John C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1560 - 1571
• a: 6.484 ± 0.003 Å
• b: 8.921 ± 0.004 Å
• c: 19.032 ± 0.009 Å
• α: 98.492 ± 0.007°
• β: 98.646 ± 0.006°
• γ: 106.341 ± 0.006°
• Cell volume: 1023.3 ± 0.8 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No