Crystallography Open Database

Information card for entry 7222057

7222056 << 7222057 >> 7222058

Preview

Coordinates	7222057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Cu N2 O7 S
Calculated formula	C15 H14 Cu N2 O7 S
Title of publication	Dihydroisoquinoline Copper(II) Complexes: Crystal Structures, Cytotoxicity, and Their Action Mechanism
Authors of publication	Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Xie, Xiao-Li; Liang, Hong
Journal of publication	RSC Adv.
Year of publication	2015
a	7.3674 ± 0.0001 Å
b	18.0273 ± 0.0003 Å
c	23.508 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3122.2 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0298
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7222057.cif
155496	2015-09-09	cif/ Adding structures of 7222056, 7222057, 7222058 via cif-deposit CGI script.	7222057.cif