Crystallography Open Database

Information card for entry 7020935

7020934 << 7020935 >> 7020936

Preview

Coordinates	7020935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H58 Cl2 Cu3 N8 O20
Calculated formula	C60 H57 Cl2 Cu3 N8 O20
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	11.2073 ± 0.0006 Å
b	28.6467 ± 0.0017 Å
c	21.996 ± 0.0014 Å
α	90°
β	117.764 ± 0.004°
γ	90°
Cell volume	6248.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1945
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1461
Weighted residual factors for all reflections included in the refinement	0.1708
Goodness-of-fit parameter for all reflections included in the refinement	0.817
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
179914 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/09.	7020935.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020935.cif
73717	2013-02-21	cif/ Adding structures of 7020931, 7020932, 7020933, 7020934, 7020935 via cif-deposit CGI script.	7020935.cif