Crystallography Open Database

Information card for entry 7028360

Preview

Coordinates	7028360.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9-propargylguanine+CuBr2
Formula	C16 H14 Br4 Cu3 N10 O2
Calculated formula	C16 H14 Br4 Cu3 N10 O2
Title of publication	Guanine-copper coordination polymers: crystal analysis and application as thin film precursors.
Authors of publication	Nagapradeep, N.; Venkatesh, V.; Tripathi, S. K.; Verma, Sandeep
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	4
Pages of publication	1744 - 1752
a	8.0201 ± 0.0012 Å
b	19.173 ± 0.003 Å
c	7.3148 ± 0.0011 Å
α	90°
β	93.877 ± 0.003°
γ	90°
Cell volume	1122.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0718
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1929
Weighted residual factors for all reflections included in the refinement	0.1999
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
179989 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/83.	7028360.cif
105293	2014-03-12	cif/ Adding structures of 7028360, 7028361, 7028362 via cif-deposit CGI script.	7028360.cif