Crystallography Open Database

Information card for entry 1512976

Preview

Coordinates	1512976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N3 O4 Zn
Calculated formula	C21 H19 N3 O4 Zn
Title of publication	Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks
Authors of publication	De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	396
Pages of publication	84 - 91
a	11.8253 ± 0.0018 Å
b	17.268 ± 0.003 Å
c	19.299 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3940.8 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1186
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1718
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	1512976.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512976.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512976.cif
91308	2013-12-11	cif/ Adding structures of 1512976 via cif-deposit CGI script.	1512976.cif