Crystallography Open Database

Information card for entry 7714808

Preview

Coordinates	7714808.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
289505 (current)	2024-02-04	cif/ Updating files of 7714805, 7714806, 7714807, 7714808, 7714809, 7714810 Original log message: Adding full bibliography for 7714805--7714810.cif.	7714808.cif
288494	2023-12-22	cif/ Adding structures of 7714805, 7714806, 7714807, 7714808, 7714809, 7714810 via cif-deposit CGI script.	7714808.cif