Crystallography Open Database

Information card for entry 7034034

Preview

Coordinates	7034034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cu2 I2 N4
Calculated formula	C16 H18 Cu2 I2 N4
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	8.9132 ± 0.0004 Å
b	9.2024 ± 0.0005 Å
c	12.2475 ± 0.0006 Å
α	97.962 ± 0.001°
β	96.167 ± 0.001°
γ	105.429 ± 0.001°
Cell volume	948.02 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7034034.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.	7034034.cif
131816	2015-02-13	cif/ Adding structures of 7034031, 7034032, 7034033, 7034034, 7034035, 7034036, 7034037 via cif-deposit CGI script.	7034034.cif