Crystallography Open Database

Information card for entry 7020932

7020931 << 7020932 >> 7020933

Preview

Coordinates	7020932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H15.5 Cu N1.5 O5.5
Calculated formula	C16.5 H12 Cu N1.5 O5.5
Title of publication	Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands
Authors of publication	Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin
Journal of publication	Dalton Transactions
Year of publication	2013
Journal volume	42
Journal issue	10
Pages of publication	3455
a	22.116 ± 0.002 Å
b	11.5791 ± 0.0006 Å
c	16.8051 ± 0.0018 Å
α	90°
β	130.986 ± 0.016°
γ	90°
Cell volume	3248.6 ± 0.9 Å³
Cell temperature	122.3 ± 0.2 K
Ambient diffraction temperature	122.3 ± 0.2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7020932.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020932.cif
73717	2013-02-21	cif/ Adding structures of 7020931, 7020932, 7020933, 7020934, 7020935 via cif-deposit CGI script.	7020932.cif