Information card for entry 7707270

Structure parameters

• Formula: C25 H42 Cl2 N6 Ni2 O17
• Calculated formula: C25 H42 Cl2 N6 Ni2 O17
• SMILES: [Ni]123([O]4C(=[O]1)O[Ni]154([n]4ccccc4C[N]45CCC[N]1(CC4)C)O)([n]1ccccc1C[N]13CCC[N]2(CC1)C)[OH2].O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O
• Title of publication: Rapid atmospheric carbon dioxide fixation by nickel(II) complexes: meridionally coordinated diazepane-based 3N ligands facilitate fixation.
• Authors of publication: Ajaykamal, Tamilarasan; Sharma, Mitu; Islam, Nasreen S.; Palaniandavar, Mallayan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8045 - 8056
• a: 22.909 ± 0.01 Å
• b: 14.148 ± 0.006 Å
• c: 12.037 ± 0.005 Å
• α: 90°
• β: 101.433 ± 0.006°
• γ: 90°
• Cell volume: 3824 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1049
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No