Crystallography Open Database

Information card for entry 4513536

Preview

Coordinates	4513536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Cd2 Cl12 N2 O11
Calculated formula	C30 H20 Cd2 Cl12 N2 O11
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	13.7798 ± 0.0012 Å
b	12.6363 ± 0.0011 Å
c	25.0522 ± 0.0018 Å
α	90°
β	114.451 ± 0.004°
γ	90°
Cell volume	3971 ± 0.6 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	0.0347
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4513536.cif
153522	2015-08-20	cif/ Adding structures of 4513533, 4513534, 4513535, 4513536 via cif-deposit CGI script.	4513536.cif