Information card for entry 4503491

Structure parameters

• Formula: C220 H246 Fe10 N10 O58 Zn10
• Calculated formula: C220 H246 Fe10 N10 O58 Zn10
• SMILES: C1(/C(NC(=O)c2ccccc2)=C/[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)=[O][Zn]2345OC(=[O][Zn]67(OC(=[O][Zn]89(OC(/C(NC(=O)c%10ccccc%10)=C/[c]%10%11[cH]%12[cH]%13[cH]%14[cH]%10[Fe]%10%15%16%17%11%12%13%14[cH]%11[cH]%10[cH]%15[cH]%16[cH]%17%11)=[O][Zn]%10%11(OC(/C(NC(=O)c%12ccccc%12)=C/[c]%12%13[cH]%14[cH]%15[cH]%16[cH]%12[Fe]%12%17%18%19%13%14%15%16[cH]%13[cH]%12[cH]%17[cH]%18[cH]%19%13)=[O][Zn]%12%13([O]%10C)([O]%11C)OC(/C(NC(=O)c%10ccccc%10)=C/[c]%10%11[cH]%14[cH]%15[cH]%16[cH]%10[Fe]%10%17%18%19%11%14%15%16[cH]%11[cH]%10[cH]%17[cH]%18[cH]%19%11)=[O][Zn]%10%11(OC(=[O][Zn]%14%15(OC(=[O][Zn]%16%17(OC(/C(NC(=O)c%18ccccc%18)=C/[c]%18%19[cH]%20[cH]%21[cH]%22[cH]%18[Fe]%18%23%24%25%19%20%21%22[cH]%19[cH]%18[cH]%23[cH]%24[cH]%25%19)=[O][Zn]%18%19(OC(/C(NC(=O)c%20ccccc%20)=C/[c]%20%21[cH]%22[cH]%23[cH]%24[cH]%20[Fe]%20%25%26%27%21%22%23%24[cH]%21[cH]%20[cH]%25[cH]%26[cH]%27%21)=[O][Zn]([O]2C)(O1)([O]5C)([O]%18C)[O]%19C)([O]%16C)[O]%17C)([O]%14C)[O]%15C)/C(NC(=O)c1ccccc1)=C/[c]12[cH]5[cH]%14[cH]%15[cH]1[Fe]1%16%17%1825%14%15[cH]2[cH]%18[cH]%17[cH]%16[cH]12)([O]%10C)[O]%11C)/C(NC(=O)c1ccccc1)=C/[c]12[cH]5[cH]%10[cH]%11[cH]1[Fe]1%14%15%1625%10%11[cH]2[cH]1[cH]%14[cH]%15[cH]%162)([O]%12C)[O]%13C)([O]8C)[O]9C)([O]6C)[O]7C)/C(NC(=O)c1ccccc1)=C/[c]12[cH]5[cH]6[cH]7[cH]1[Fe]189%102567[cH]2[cH]%10[cH]9[cH]8[cH]12)([O]3C)[O]4C)/C(NC(=O)c1ccccc1)=C/[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.O.O.O.O.O.O.O.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: 25.349 ± 0.003 Å
• b: 21.983 ± 0.002 Å
• c: 26.491 ± 0.003 Å
• α: 90°
• β: 117.376 ± 0.002°
• γ: 90°
• Cell volume: 13109 ± 2 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: 0.3
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2088
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No