Information card for entry 1500007

Structure parameters

• Formula: C8 H32 Br4 Cd Cl4 Co2 N8
• Calculated formula: C8 H32 Br4 Cd Cl4 Co2 N8
• SMILES: [Cd](Br)(Br)([Br-])[Br-].[Co]12(Cl)(Cl)([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Co]12(Cl)(Cl)([NH2]CC[NH2]1)[NH2]CC[NH2]2
• Title of publication: Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~
• Authors of publication: Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2006
• Journal volume: 794
• Pages of publication: 341 - 347
• a: 18.6201 ± 0.001 Å
• b: 12.0872 ± 0.0006 Å
• c: 24.0877 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5421.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No