Crystallography Open Database

Information card for entry 8106150

Preview

Coordinates	8106150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H22 Cl2 Cu N4 O2
Calculated formula	C31 H22 Cl2 Cu N4 O2
Title of publication	Crystal structure of (5Z,10Z)-3,13-dichloro-17,18-dioxo-5,11-diphenyl-8,9,17,18-tetrahydro-7H-dibenzo[e,n][1,4,8,12]tetraazacyclopentadecine-16,19-diido-κ4 N,N′,N′′,N′′′)copper(II), C31H22N4O2Cl2Cu
Authors of publication	Chen, Shi-Jun; Li, Shi-Hui; Huang, Yao; Liu, Bin; Xiong, Ting-Song; Cui, Jun; Shen, Xiao-Shuang; Chen, Deng-Qian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	3
Pages of publication	353 - 354
a	6.869 ± 0.002 Å
b	18.535 ± 0.007 Å
c	21.199 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2699 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
279384 (current)	2022-11-18	cif/ Adding structures of 8106150 via cif-deposit CGI script.	8106150.cif