Crystallography Open Database

Information card for entry 7110882

Preview

Coordinates	7110882.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	13.495 ± 0.003 Å
b	4.1059 ± 0.0009 Å
c	16.727 ± 0.004 Å
α	90°
β	109.626 ± 0.004°
γ	90°
Cell volume	873 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0687
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7110882.cif
180222	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.	7110882.cif
95993	2014-01-28	cif/ Adding structures of 7110881, 7110882 via cif-deposit CGI script.	7110882.cif