Crystallography Open Database

Information card for entry 7207612

7207611 << 7207612 >> 7207613

Preview

Coordinates	7207612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H39 Br2 Cu7 N14
Calculated formula	C8 Br2 Cu7 N8
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	7.0962 ± 0.0002 Å
b	12.4549 ± 0.0007 Å
c	13.158 ± 0.0005 Å
α	68.16 ± 0.004°
β	83.115 ± 0.003°
γ	81.834 ± 0.003°
Cell volume	1065.68 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	7207612.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207612.cif
52047	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207611, 7207612 via cif-deposit CGI script.	7207612.cif