Crystallography Open Database

Information card for entry 4506013

Preview

Coordinates	4506013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 N4 O4 Zn
Calculated formula	C24 H18 N4 O4 Zn
Title of publication	Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction
Authors of publication	Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	2079
a	11.775 ± 0.0018 Å
b	11.775 ± 0.0018 Å
c	15.111 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2095.1 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179596 (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 4/50/60.	4506013.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506013.cif
57470	2012-05-18	cif/ Adding structures of 4506011, 4506012, 4506013, 4506014, 4506015, 4506016 via cif-deposit CGI script.	4506013.cif