Information card for entry 7200648

Structure parameters

• Formula: C54 H34 Cd2 Cl6 I4 N8 O8
• Calculated formula: C54 H34 Cd2 Cl6 I4 N8 O8
• SMILES: c1c2ccc[n]1[Cd](I)(I)[n]1cc(CN3C(=O)c4ccc5C(=O)N(Cc6c[n](ccc6)[Cd](I)(I)[n]6cc(CN7C(=O)c8ccc9C(=O)N(C2)C(=O)c2ccc(C7=O)c8c92)ccc6)C(=O)c2ccc(C3=O)c4c52)ccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand
• Authors of publication: Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 909
• a: 11.382 ± 0.003 Å
• b: 11.755 ± 0.002 Å
• c: 12.48 ± 0.003 Å
• α: 90.289 ± 0.016°
• β: 107.61 ± 0.02°
• γ: 105.634 ± 0.019°
• Cell volume: 1525.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No