Information card for entry 2017440

Structure parameters

• Chemical name: Bis[bis(methoxycarbimido)aminato]copper(II)‒1-methylpyrrolidin-2-one (1/2)
• Formula: C18 H34 Cu N8 O6
• Calculated formula: C18 H34 Cu N8 O6
• SMILES: C1(=[NH][Cu]2(NC(=N1)OC)NC(=NC(=[NH]2)OC)OC)OC.C1(=O)CCCN1C.C1(=O)CCCN1C
• Title of publication: Bis[bis(methoxycarbimido)aminato]copper(II) 1-methylpyrrolidin-2-one disolvate
• Authors of publication: Chippindale, Ann M.; Bilbé, Edward J.; Hibble, Simon J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m485 - m487
• a: 7.52863 ± 0.00018 Å
• b: 11.565 ± 0.0003 Å
• c: 14.0547 ± 0.0003 Å
• α: 90°
• β: 102.833 ± 0.002°
• γ: 90°
• Cell volume: 1193.16 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for all reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections included in the refinement: 0.0245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes