Crystallography Open Database

Information card for entry 7714806

Preview

Coordinates	7714806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 Cl F2 N4 Ni2 O7.25
Calculated formula	C28 H40 F2 N4 Ni2 O7
SMILES	[Ni]1234([O](c5ccc(F)cc5C=[N]4CCC[N]1(C)C)[Ni]14([O]2c2ccc(F)cc2C=[N]1CCC[N]4(C)C)([OH2]3)OC(=O)C)OC(=O)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	12.1743 ± 0.0008 Å
b	17.2045 ± 0.0012 Å
c	18.9504 ± 0.0013 Å
α	107.87 ± 0.002°
β	107.105 ± 0.003°
γ	99.032 ± 0.002°
Cell volume	3474.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7714806.cif
288494	2023-12-22	cif/ Adding structures of 7714805, 7714806, 7714807, 7714808, 7714809, 7714810 via cif-deposit CGI script.	7714806.cif