Information card for entry 7101616

Structure parameters

• Formula: C28 H36 Cd Cl6 N4
• Calculated formula: C28 H36 Cd Cl6 N4
• SMILES: c1(c(cc(cc1)c1cc(c([NH3+])cc1)C)C)[NH3+].[Cd](Cl)(Cl)([Cl-])[Cl-].[Cl-].c1(c(cc(cc1)c1cc(c([NH3+])cc1)C)C)[NH3+].[Cl-]
• Title of publication: From crystal engineering to cluster engineering: How to transform cadmium chloride from 2-D to 0-D.
• Authors of publication: Chen, Chun-Long; Beatty, Alicia M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 76 - 78
• a: 8.094 ± 0.002 Å
• b: 48.185 ± 0.011 Å
• c: 8.239 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3213.1 ± 1.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No