Information card for entry 4502199

Structure parameters

• Formula: C84 H70 Cd2 Fe2 N14 O17
• Calculated formula: C84 H70 Cd2 Fe2 N14 O17
• SMILES: [Cd]1234([N](Cc5n1c1c(cccc1)n5)(Cc1n2c2c(cccc2)n1)Cc1n3c2ccccc2n1)OC(=[O]4)CCC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82C(=O)CCC1=[O][Cd]234([N](Cc5[n]4c4ccccc4[nH]5)(Cc4[n]3c3ccccc3[nH]4)Cc3n2c2c(cccc2)n3)O1.C(=O)(CCC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)C(=O)CCC(=O)[O-])[O-].O.O.O.O.O
• Title of publication: Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate
• Authors of publication: Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2490
• a: 28.837 ± 0.006 Å
• b: 18.719 ± 0.004 Å
• c: 17.162 ± 0.003 Å
• α: 90°
• β: 118.1 ± 0.03°
• γ: 90°
• Cell volume: 8172 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No