Crystallography Open Database

Information card for entry 7055117

Preview

Coordinates	7055117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H51 Cl2 Cu N7 O7 S
Calculated formula	C35 H51 Cl2 Cu N7 O7 S
Title of publication	Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole
Authors of publication	Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	12
Pages of publication	9550
a	30.652 ± 0.005 Å
b	8.83 ± 0.0015 Å
c	30.761 ± 0.005 Å
α	90°
β	108.628 ± 0.003°
γ	90°
Cell volume	7890 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7055117.cif
171301	2015-12-09	cif/ Updating files of 7055115, 7055116, 7055117, 7055118 Original log message: Adding full bibliography for 7055115--7055118.cif.	7055117.cif
158270	2015-09-24	cif/ Adding structures of 7055115, 7055116, 7055117, 7055118 via cif-deposit CGI script.	7055117.cif