Crystallography Open Database

Information card for entry 4507116

Preview

Coordinates	4507116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Mn O10
Calculated formula	C32 H28 Mn O10
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	4.6472 ± 0.0014 Å
b	11.672 ± 0.003 Å
c	13.456 ± 0.004 Å
α	90.036 ± 0.004°
β	97.87 ± 0.005°
γ	97.971 ± 0.004°
Cell volume	715.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179607 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/71.	4507116.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507116.cif
71966	2013-01-21	cif/ Adding structures of 4507116, 4507117, 4507118, 4507119, 4507120 via cif-deposit CGI script.	4507116.cif