Information card for entry 4313438

Structure parameters

• Formula: C67 H63 Cl2 N19 Ni2 O17
• SMILES: [Ni]1234([n]5ccccc5C=[N]1NC(c1ccn(cc1)=O)=[O]3)[n]1ccccc1C=[N]2NC(c1ccn(cc1)=O)=[O]4.C(C)#N.Cl(=O)(=O)(=O)[O-].C(=O)N(C)C.c1ccccc1
• Title of publication: Lanthanide-Transition Heterometallic Extended Structures with Novel Orthogonal Metalloligand as Building Block
• Authors of publication: Zheng He; Cheng He; En-Qing Gao; Zhe-Ming Wang; Xiao-Fan Yang; Chun-Sheng Liao; Chun-Hua Yan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2206 - 2208
• a: 14.846 ± 0.0001 Å
• b: 23.6352 ± 0.0002 Å
• c: 20.8378 ± 0.0002 Å
• α: 90°
• β: 105.453 ± 0.0004°
• γ: 90°
• Cell volume: 7047.41 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.3262
• Weighted residual factors for all reflections included in the refinement: 0.3556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.375
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No