Information card for entry 2222248

Structure parameters

• Chemical name: <i>cis</i>-[(7<i>R</i>,14<i>R</i>)-5,5,7,12,12,14-Hexamethyl-1,4,8,11- tetraazacyclotetradecane-κ^4^<i>N</i>](oxalato- κ^2^<i>O</i>,<i>O</i>')nickel(II) oxalic acid solvate
• Formula: C20 H38 N4 Ni O8
• Calculated formula: C20 H38 N4 Ni O8
• SMILES: C1[NH]2[C@H](C)CC(C)(C)[NH]3[Ni]452(OC(=O)C(=O)O5)[NH](C1)C(C[C@@H](C)[NH]4CC3)(C)C.O=C(O)C(=O)O
• Title of publication: <i>cis</i>-[(7<i>R</i>,14<i>R</i>)-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>](oxalato-κ^2^<i>O</i>,<i>O</i>')nickel(II) oxalic acid solvate
• Authors of publication: Ou, Guang-Chuan; Dai, Yong-Qiang; Tang, Man-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m723
• a: 10.1261 ± 0.0015 Å
• b: 15.515 ± 0.002 Å
• c: 8.0467 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1264.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes