Crystallography Open Database

Information card for entry 4513535

Preview

Coordinates	4513535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H18 Cl12 Cu2 N3 O9
Calculated formula	C33 H18 Cl12 Cu2 N3 O9
Title of publication	Syntheses, Crystal Structures, and Properties of Four Metal‒Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid
Authors of publication	Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	9
Pages of publication	4198
a	12.316 ± 0.003 Å
b	13.288 ± 0.003 Å
c	29.13 ± 0.006 Å
α	90°
β	110.765 ± 0.008°
γ	90°
Cell volume	4457.6 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
154582 (current)	2015-09-05	cif/ Updating files of 4513533, 4513534, 4513535, 4513536 Original log message: Adding full bibliography for 4513533--4513536.cif.	4513535.cif
153522	2015-08-20	cif/ Adding structures of 4513533, 4513534, 4513535, 4513536 via cif-deposit CGI script.	4513535.cif