Crystallography Open Database

Information card for entry 7110881

Preview

Coordinates	7110881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Cu I N2 O
Calculated formula	C6 H6 Cu I N2 O
Title of publication	Deliberate combination of coordination polymers and hydrogen bonds in a supramolecular design strategy for inorganic/organic hybrid networks
Authors of publication	Aakeröy, Christer B.; Beatty, Alicia M.; Leinen, Destin S.; Lorimer, Keith R.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	11
Pages of publication	935
a	13.5444 ± 0.0013 Å
b	4.1098 ± 0.0004 Å
c	15.094 ± 0.0014 Å
α	90°
β	105.583 ± 0.002°
γ	90°
Cell volume	809.32 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0268
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110881.cif
95993	2014-01-28	cif/ Adding structures of 7110881, 7110882 via cif-deposit CGI script.	7110881.cif