Information card for entry 7111329

Structure parameters

• Formula: C22 H42 N4 Ni O6
• Calculated formula: C22 H42 N4 Ni O6
• SMILES: C1C[C@H](C)[NH]2[Ni]34[NH]1[C@@H]1CCCC[C@H]1[NH]3[C@@H](CC[NH]4[C@H]1CCCC[C@H]21)C.[O-]C(=O)O.O=C(O)[O-]
• Title of publication: Isolation and characterization of the first stable bicarbonato complex in a nickel(ii) system: identification of unusual monodentate coordinationElectronic Supplementary Information (ESI) available: synthetic procedures for L and [Ni(L)]�2ClO4, electronic spectra and X-ray crystallographic data for 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b405695g/
• Authors of publication: Kim, Ju Chang; Cho, Jaeheung; Kim, Hyojin; Lough, Alan J.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 16
• Pages of publication: 1796 - 1797
• a: 9.3483 ± 0.0003 Å
• b: 9.9583 ± 0.0003 Å
• c: 12.8621 ± 0.0004 Å
• α: 90°
• β: 102.971 ± 0.0016°
• γ: 90°
• Cell volume: 1166.82 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No