Crystallography Open Database

Information card for entry 7207611

7207610 << 7207611 >> 7207612

Preview

Coordinates	7207611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 Br2 Cu6 N13
Calculated formula	C7 Br2 Cu6 N7
Title of publication	Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids
Authors of publication	Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	8
Pages of publication	2626
a	17.0461 ± 0.0006 Å
b	21.6229 ± 0.0009 Å
c	9.8505 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3630.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
180407 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/76.	7207611.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207611.cif
52047	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207611, 7207612 via cif-deposit CGI script.	7207611.cif