Crystallography Open Database

Information card for entry 4507117

Preview

Coordinates	4507117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H80 Cd1.5 N4 O16
Calculated formula	C68 H80 Cd1.5 N4 O16
Title of publication	Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework
Authors of publication	Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	12
Pages of publication	6215
a	15.489 ± 0.002 Å
b	16.205 ± 0.002 Å
c	16.439 ± 0.002 Å
α	72.801 ± 0.002°
β	70.522 ± 0.002°
γ	68.048 ± 0.002°
Cell volume	3538.3 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4507117.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507117.cif
71966	2013-01-21	cif/ Adding structures of 4507116, 4507117, 4507118, 4507119, 4507120 via cif-deposit CGI script.	4507117.cif