Information card for entry 7032566

Structure parameters

• Chemical name: bis(tris((1-Methylimidazol-2-yl)methyl)amine-N,N',N'',N''')-cadmium(ii)diperchlorate
• Formula: C30 H42 Cd Cl2 N14 O8
• Calculated formula: C30 H42 Cd Cl2 N14 O8
• SMILES: C1c2[n](ccn2C)[Cd]234([n]5c(CN1Cc1[n]2ccn1C)n(cc5)C)[n]1c(CN(Cc2[n]3ccn2C)Cc2[n]4ccn2C)n(cc1)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Bis-tetradentate complexes of Cd(ii) and Hg(ii) with N8 coordination: structural and NMR comparisons.
• Authors of publication: Bowers, Edith V.; Murphy, Geoffrey S.; Till, Stephanie N.; VandenBussche, Christopher J.; Yaroschak, Melissa M.; Pike, Robert D.; Butcher, Raymond J.; Bebout, Deborah C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16475 - 16485
• a: 12.1411 ± 0.0002 Å
• b: 13.5194 ± 0.0002 Å
• c: 12.3562 ± 0.0002 Å
• α: 90°
• β: 109.204 ± 0.0006°
• γ: 90°
• Cell volume: 1915.29 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0222
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No