Crystallography Open Database

Information card for entry 1546873

Preview

Coordinates	1546873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 F15 Gd N2 Ni O12
Calculated formula	C31 H24 F15 Gd N2 Ni O12
SMILES	[Gd]123456([O]7[Ni]89([OH2])([O]3c3c([O]1C)cccc3C=[N]9CC(O)C[N]8=Cc1c7c([O]5C)ccc1)[O]=C(O2)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F
Title of publication	Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization
Authors of publication	Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	37
Pages of publication	12558 - 12573
a	18.293 ± 0.004 Å
b	12.677 ± 0.002 Å
c	16.658 ± 0.003 Å
α	90°
β	97.715 ± 0.005°
γ	90°
Cell volume	3828 ± 1.2 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	7
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	0.0788
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.2102
Weighted residual factors for all reflections included in the refinement	0.2135
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546873.cif
199975	2017-08-29	cif/ Adding structures of 1546866, 1546867, 1546868, 1546869, 1546870, 1546871, 1546872, 1546873, 1546874, 1546875, 1546876, 1546877, 1546878, 1546879, 1546880 via cif-deposit CGI script.	1546873.cif