Crystallography Open Database

Information card for entry 4349778

Preview

Coordinates	4349778.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co(L3)2(ClO4)2
Chemical name	4
Formula	C36 H34 Cl2 Co N6 O12
Calculated formula	C36 H34 Cl2 Co N6 O12
SMILES	[Co]1234([N]5CCOC=5c5[n]1c(cc(c5)c1ccc(C)cc1)C1OCC[N]2=1)[N]1CCOC=1c1[n]3c(cc(c1)c1ccc(C)cc1)C1OCC[N]4=1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes
Authors of publication	Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	11
Pages of publication	1909
a	18.847 ± 0.004 Å
b	17.562 ± 0.004 Å
c	11.378 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3766 ± 1.3 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
235821 (current)	2019-11-24	cif/ Adding structures of 4349774, 4349775, 4349776, 4349777, 4349778, 4349779 via cif-deposit CGI script.	4349778.cif