Information card for entry 1542549

Structure parameters

• Common name: [CdCl2(MBqn)]
• Chemical name: dichloromethylbiquinoxencadmium (II)
• Formula: C18 H16 Cd Cl2 N4
• Calculated formula: C18 H16 Cd Cl2 N4
• SMILES: C[n+]1c2ccccc2n2c(c1)c1c[n+](C)c3ccccc3n1[Cd]2(Cl)Cl
• Title of publication: A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform
• Authors of publication: Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3820
• a: 7.4683 ± 0.0005 Å
• b: 10.4739 ± 0.0007 Å
• c: 11.3249 ± 0.0008 Å
• α: 80.15 ± 0.006°
• β: 82.274 ± 0.005°
• γ: 81.982 ± 0.006°
• Cell volume: 858.7 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No