Information card for entry 7214098

Structure parameters

• Formula: C80 H60 Cd2 Cl4 N4 O8
• Calculated formula: C80 H60 Cd2 Cl4 N4 O8
• SMILES: c1cc(cc[n]1[Cd]123([n]4ccc(cc4)/C=C/c4ccccc4)([O]=C(O1)c1ccc(cc1)Cl)[O](C(=[O]2)c1ccc(cc1)Cl)[Cd]12([n]4ccc(cc4)/C=C/c4ccccc4)([n]4ccc(cc4)/C=C/c4ccccc4)([O]=C(O1)c1ccc(cc1)Cl)[O]3C(=[O]2)c1ccc(cc1)Cl)/C=C/c1ccccc1
• Title of publication: Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds
• Authors of publication: Liu, Dong; Lang, Jian-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 76
• a: 10.584 ± 0.002 Å
• b: 11.362 ± 0.002 Å
• c: 15.896 ± 0.003 Å
• α: 107.23 ± 0.03°
• β: 92.05 ± 0.03°
• γ: 109.7 ± 0.03°
• Cell volume: 1699.3 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No