Crystallography Open Database

Information card for entry 7052877

Preview

Coordinates	7052877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N3 O6
Calculated formula	C18 H15 N3 O6
Title of publication	An unusual three-dimensional self-penetrating network derived from cross-linking of two-fold interpenetrating nets via ligand-unsupported Ag‒Ag bonds: synthesis, structure, luminescence, and theoretical study
Authors of publication	Song, Xue-Zhi; Qin, Chao; Guan, Wei; Song, Shu-Yan; Zhang, Hong-Jie
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	4
Pages of publication	877
a	7.6395 ± 0.0004 Å
b	21.1972 ± 0.0011 Å
c	9.8455 ± 0.0005 Å
α	90°
β	97.683 ± 0.001°
γ	90°
Cell volume	1580.03 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.235
Weighted residual factors for all reflections included in the refinement	0.2431
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
180082 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28.	7052877.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052877.cif
52202	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7052876, 7052877 via cif-deposit CGI script.	7052877.cif