Crystallography Open Database

Information card for entry 7214563

Preview

Coordinates	7214563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H56 B2 Cu2 F8 N8 P2
Calculated formula	C66 H56 B Cu2 F4 N8 P2
Title of publication	Directed formation of tri-connected Cu(i) coordination polymers
Authors of publication	Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9372
a	42.216 ± 0.002 Å
b	17.4513 ± 0.0007 Å
c	20.096 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	14805.2 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.2079
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.245
Weighted residual factors for all reflections included in the refinement	0.2938
Goodness-of-fit parameter for all reflections included in the refinement	0.691
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
180476 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/45.	7214563.cif
110305	2014-04-18	cif/ Adding structures of 7214561, 7214562, 7214563, 7214564 via cif-deposit CGI script.	7214563.cif