Crystallography Open Database

Information card for entry 1546877

Preview

Coordinates	1546877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H57 Cl4 Ho N2 Ni O11
Calculated formula	C66 H57 Cl4 Ho N2 Ni O11
SMILES	[Ho]123456([O](C)c7c8[O]1[Ni]19%10([O]2c2c(C=[N]%10CC(O)C[N]9=Cc8ccc7)cccc2[O]3C)[O]=C(C=C([O]41)c1ccccc1)c1ccccc1)([O]=C(C=C(O5)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O6)c1ccccc1.ClCCl.ClCCl
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	11.277 ± 0.0004 Å
b	12.697 ± 0.0005 Å
c	23.3931 ± 0.0008 Å
α	81.822 ± 0.003°
β	83.284 ± 0.003°
γ	76.675 ± 0.003°
Cell volume	3213.9 ± 0.2 Å³
Cell temperature	128.75 ± 0.1 K
Ambient diffraction temperature	128.75 ± 0.1 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	0.0439
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1546877.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.	1546877.cif