Information card for entry 4503494

Structure parameters

• Formula: C226 H270 Cd10 Fe10 N10 O64
• Calculated formula: C226 H270 Cd10 Fe10 N10 O64
• SMILES: C[O]1[Cd]2345[OH](C)[Cd]671([O](C)[Cd]18([OH]7C)([O](C)[Cd]79([OH]1C)([O](C)[Cd]1%10([OH]9C)([O](C)[Cd]9%11([O](C)[Cd]%12%13([OH]9C)([O](C)[Cd]9%14([OH]%12C)([O](C)[Cd]%12%15([OH]9C)([O](C)[Cd]([O]=C(/C(NC(=O)c9ccccc9)=C/[c]9%16[cH]%17[cH]%18[cH]%19[cH]9[Fe]9%20%21%22%16%17%18%19[cH]%16[cH]9[cH]%20[cH]%21[cH]%22%16)O2)([OH]%15C)([O]4C)([OH]5C)OC(/C(NC(=O)c2ccccc2)=C/[c]24[cH]5[cH]9[cH]%15[cH]2[Fe]2%16%17%18459%15[cH]4[cH]%18[cH]%17[cH]%16[cH]24)=[O]%12)[O]=C(/C(NC(=O)c2ccccc2)=C/[c]24[cH]5[cH]9[cH]%12[cH]2[Fe]2%15%16%17459%12[cH]4[cH]2[cH]%15[cH]%16[cH]%174)O%14)[O]=C(/C(NC(=O)c2ccccc2)=C/[c]24[cH]5[cH]9[cH]%12[cH]2[Fe]2%14%15%16459%12[cH]4[cH]%16[cH]%15[cH]%14[cH]24)O%13)[O]=C(/C(NC(=O)c2ccccc2)=C/[c]24[cH]5[cH]9[cH]%12[cH]2[Fe]2%13%14%15459%12[cH]4[cH]2[cH]%13[cH]%14[cH]%154)O%11)([OH]1C)[O]=C(C(NC(=O)c1ccccc1)=C/[c]12[cH]4[cH]5[cH]9[cH]1[Fe]1%11%12%132459[cH]2[cH]1[cH]%11[cH]%12[cH]%132)O%10)[O]=C(/C(NC(=O)c1ccccc1)=C/[c]12[cH]4[cH]5[cH]%10[cH]1[Fe]19%10%11%12245[cH]2[cH]%12[cH]%11[cH]9[cH]12)O7)[O]=C(/C(NC(=O)c1ccccc1)=C/[c]12[cH]4[cH]5[cH]7[cH]1[Fe]19%10%112457[cH]2[cH]1[cH]9[cH]%10[cH]%112)O8)[O]=C(O6)/C(NC(=O)c1ccccc1)=C/[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[cH]2[cH]9[cH]8[cH]7[cH]12)[O]=C(/C(NC(=O)c1ccccc1)=C/[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[cH]2[cH]1[cH]7[cH]8[cH]92)O3.OC.OC.O.O.O.OC.O.OC.OC.O.O.O.OC.O
• Title of publication: From Multifunctional Precursor to Novel Reaction Products: Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl Carboxylate Complexes
• Authors of publication: Liu, Yaru; Hou, Hongwei; Chen, Qianru; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1435
• a: 25.2571 ± 0.0012 Å
• b: 21.8732 ± 0.001 Å
• c: 26.4035 ± 0.0012 Å
• α: 90°
• β: 117.506 ± 0.001°
• γ: 90°
• Cell volume: 12937.9 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.2807
• Residual factor for significantly intense reflections: 0.1196
• Weighted residual factors for significantly intense reflections: 0.2902
• Weighted residual factors for all reflections included in the refinement: 0.396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No