Crystallography Open Database

Information card for entry 4349777

Preview

Coordinates	4349777.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co(L2)2(ClO4)2(MeCN)
Chemical name	3
Formula	C32 H41 Cl2 Co N7 O12
Calculated formula	C32 H41 Cl2 Co N7 O12
SMILES	[Co]1234([N]5C(C)(C)COC=5c5[n]1c(ccc5)C1OCC([N]2=1)(C)C)[N]1C(C)(C)COC=1c1[n]3c(ccc1)C1OCC([N]4=1)(C)C.N#CC.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	16.987 ± 0.003 Å
b	19.242 ± 0.004 Å
c	22.838 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7465 ± 3 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.32
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.	4349777.cif