Crystallography Open Database

Information card for entry 4512817

Preview

Coordinates	4512817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H5 Cu N O6
Calculated formula	C9 H5 Cu N O6
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	8.53 ± 0.005 Å
b	11.28 ± 0.006 Å
c	13.917 ± 0.006 Å
α	90°
β	112.75 ± 0.03°
γ	90°
Cell volume	1234.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.053
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4512817.cif
134732	2015-04-04	cif/ Updating files of 4512817, 4512818, 4512819 Original log message: Adding full bibliography for 4512817--4512819.cif.	4512817.cif
133011	2015-03-05	cif/ Adding structures of 4512817, 4512818, 4512819 via cif-deposit CGI script.	4512817.cif