Crystallography Open Database

Information card for entry 7034035

Preview

Coordinates	7034035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cu2 I2 N4 O
Calculated formula	C13 H12 Cu2 I2 N4 O
Title of publication	Luminescent [Cu4I4] aggregates and [Cu3I3]-cyclic coordination polymers supported by quinolyl-triazoles.
Authors of publication	Bai, Shi-Qiang; Jiang, Lu; Young, David James; Hor, T. S. Andy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	13
Pages of publication	6075 - 6081
a	7.8794 ± 0.0007 Å
b	8.6744 ± 0.0007 Å
c	13.0228 ± 0.0011 Å
α	78.57 ± 0.002°
β	76.751 ± 0.002°
γ	67.049 ± 0.002°
Cell volume	791.92 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0176
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0378
Weighted residual factors for all reflections included in the refinement	0.0385
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
180046 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40.	7034035.cif
134957	2015-04-06	cif/ Updating files of 7034031, 7034032, 7034033, 7034034, 7034035, 7034036, 7034037 Original log message: Adding full bibliography for 7034031--7034037.cif.	7034035.cif
131816	2015-02-13	cif/ Adding structures of 7034031, 7034032, 7034033, 7034034, 7034035, 7034036, 7034037 via cif-deposit CGI script.	7034035.cif