Crystallography Open Database

Information card for entry 4512818

Preview

Coordinates	4512818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 Cu O9
Calculated formula	C7 H8 Cu O9
Title of publication	Cu- and Ag-Based Metal‒Organic Frameworks with 4-Pyranone-2,6-dicarboxylic Acid: Syntheses, Crystal Structures, and Dielectric Properties
Authors of publication	Qu, Bo-Tao; Lai, Jian-Cheng; Liu, Sheng; Liu, Feng; Gao, Yan-Dong; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	4
Pages of publication	1707
a	5.0687 ± 0.0003 Å
b	14.8844 ± 0.0009 Å
c	13.6533 ± 0.0009 Å
α	90°
β	94.173 ± 0.001°
γ	90°
Cell volume	1027.34 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0328
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179676 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/28.	4512818.cif
134732	2015-04-04	cif/ Updating files of 4512817, 4512818, 4512819 Original log message: Adding full bibliography for 4512817--4512819.cif.	4512818.cif
133011	2015-03-05	cif/ Adding structures of 4512817, 4512818, 4512819 via cif-deposit CGI script.	4512818.cif