Crystallography Open Database

Information card for entry 4502098

4502097 << 4502098 >> 4502099

Preview

Coordinates	4502098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 Fe N6 O4
Calculated formula	C19 H14 Fe N6 O4
Title of publication	Ligand-Directed Assembly of Asymmetric 1,3,5-Triazine Ligands Containing Pyridyl and Hydroxyl Groups
Authors of publication	Cao, Man-Li; Wu, Jin-Ji; Liang, Jin-Juan; Ye, Bao-Hui
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	11
Pages of publication	4934
a	10.0488 ± 0.0011 Å
b	14.6598 ± 0.0016 Å
c	13.4856 ± 0.0015 Å
α	90°
β	108.268 ± 0.002°
γ	90°
Cell volume	1886.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0383
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
179551 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/20.	4502098.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502098.cif
36241	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502096, 4502097, 4502098, 4502099, 4502100, 4502101, 4502102 via cif-deposit CGI script.	4502098.cif