Crystallography Open Database

Information card for entry 7206655

7206654 << 7206655 >> 7206656

Preview

Coordinates	7206655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H61 Cu6 N15 O2
Calculated formula	C87 H57 Cu6 N15
Title of publication	Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands
Authors of publication	Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	22
Pages of publication	6759
a	32.9876 ± 0.0014 Å
b	15.2044 ± 0.0006 Å
c	15.3966 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7722.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
180397 (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 7/20/66.	7206655.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206655.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206655.cif
29972	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206652, 7206653, 7206654, 7206655 via cif-deposit CGI script.	7206655.cif