Information card for entry 7714808

Structure parameters

• Formula: C223 H379 Cl6 F8 N16 Ni24 O80.5
• Calculated formula: C160 H232 F8 N16 Ni24 O80
• SMILES: [Ni]12345[O]([Ni]678([O]=C(O1)C)[O]1[Ni]9%10%11([O]26)[O]=C([O]8[Ni]268([O]=C1C)[O]7C(=[O][Ni]17%12%13[O]([Ni]%14%15([O]=C(O1)C)([O]2C(=[O][Ni]12%16([O]%14C(=[O][Ni]%14%17%18%19[O]([Ni]%20%21([O]=C(O%14)C)([O]1C(=[O][Ni]1%14%22([O]%20C(=[O][Ni]%20%23%24%25[O]([Ni]%26%27([O]=C(O%20)C)([O]1C(=[O][Ni]1%20%28([O]%26C(=[O][Ni]%26%29%30%31[O]([Ni]%32%33([O]=C(O%26)C)([O]1C(=[O][Ni]1%26%34([O]%32C(=[O][Ni]%32%35%36%37[O]([Ni]%38%39([O]=C(O%32)C)([O]1C(=[O][Ni]1%32%40([O]%38C(=[O][Ni]%38%41%42%43[O]([Ni]%44%45([O]=C(O%38)C)([O]1C(=[O][Ni]1%38%46([O]%44C(=[O][Ni]%44%47%48%49[O]([Ni]([O]=C(O%44)C)([O]1C(=[O]9)C)([O]%38%47)([O]%10C(=[O]3)C)[O]%11C(=[O]%46)C)c1ccc(F)cc1C=[N]%48CCC[N]%49(C)C)C)[O]%45C(=[O]%40)C)C)[O]%32%41)c1ccc(F)cc1C=[N]%42CCC[N]%43(C)C)C)[O]%39C(=[O]%34)C)C)[O]%26%35)c1ccc(F)cc1C=[N]%36CCC[N]%37(C)C)C)[O]%33C(=[O]%28)C)C)[O]%20%29)c1ccc(F)cc1C=[N]%30CCC[N]%31(C)C)C)[O]%27C(=[O]%22)C)C)[O]%14%23)c1ccc(F)cc1C=[N]%24CCC[N]%25(C)C)C)[O]%21C(=[O]%16)C)C)[O]2%17)c1ccc(F)cc1C=[N]%18CCC[N]%19(C)C)C)[O]%15C(=[O]8)C)C)[O]67)c1ccc(F)cc1C=[N]%12CCC[N]%13(C)C)C)C)c1ccc(F)cc1C=[N]4CCC[N]5(C)C
• Title of publication: Tetracosanuclear nickel complexes as effective catalysts for cycloaddition of carbon dioxide with epoxides.
• Authors of publication: Liu, Guan-Lin; Wu, En-Hsu; Hung, Yu-Ching; Chou, Wei-Chi; Hung, Chia-Hsin; Lin, Chu-Chieh; Ko, Bao-Tsan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1425 - 1429
• a: 24.8794 ± 0.001 Å
• b: 26.4236 ± 0.001 Å
• c: 43.2603 ± 0.0017 Å
• α: 90°
• β: 93.397 ± 0.002°
• γ: 90°
• Cell volume: 28389.5 ± 1.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No