Crystallography Open Database

Information card for entry 7113838

Preview

Coordinates	7113838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N4 O2
Calculated formula	C18 H14 N4 O2
SMILES	c1cc(NC(=O)c2ccncc2)c(cc1)NC(=O)c1ccncc1
Title of publication	Ring-opening polymerization of gold macrocycles and self-assembly of a coordination polymer through hydrogen-bonding
Authors of publication	Burchell, Tara J.; Eisler, Dana J.; Jennings, Michael C.; Puddephatt, Richard J.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	17
Pages of publication	2228 - 2229
a	17.5572 ± 0.0007 Å
b	9.2062 ± 0.0004 Å
c	9.637 ± 0.0005 Å
α	90°
β	102.981 ± 0.002°
γ	90°
Cell volume	1517.87 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1385
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103881
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210584 (current)	2018-09-08	cif/7/ Updating bibliography in entries 7103881-7103883, 7113838-7113840. Marking entries 7113838-7113840 as duplicates of entries 7103881-7103883.	7113838.cif
180252	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 7/11/38.	7113838.cif
115304	2014-06-02	cif/ Adding structures of 7113838, 7113839, 7113840 via cif-deposit CGI script.	7113838.cif