Crystallography Open Database

Information card for entry 4350806

Preview

Coordinates	4350806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H36 Co N4 O7
Calculated formula	C43 H36 Co N4 O7
SMILES	[Co]12(OC(=O)c3ccc(cc3)CC(C(=O)C)Cc3ccc(C(=O)O)cc3)(O)([n]3c4c(ccc3)ccc3c4[n]1ccc3)[n]1cccc3c1c1[n]2cccc1cc3.O
Title of publication	Novel magnetic CoII complexes: Synthesis and characterization
Authors of publication	Guo, Yanchao; Shi, Tao; Si, Zhenjun; Duan, Qian; Shi, Linfang
Journal of publication	Inorganic Chemistry Communications
Year of publication	2013
Journal volume	34
Pages of publication	15 - 18
a	9.7663 ± 0.0005 Å
b	13.3383 ± 0.0006 Å
c	14.6433 ± 0.0007 Å
α	105.238 ± 0.001°
β	91.319 ± 0.001°
γ	97.081 ± 0.001°
Cell volume	1823.36 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1978
Weighted residual factors for all reflections included in the refinement	0.2075
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
272314 (current)	2022-01-28	cif/ Adding structures of 4350806, 4350807 via cif-deposit CGI script.	4350806.cif