Crystallography Open Database

Information card for entry 4506015

Preview

Coordinates	4506015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Mn N4 O5.5
Calculated formula	C24 H16 Mn N4 O5.5
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	16.185 ± 0.007 Å
b	13.588 ± 0.005 Å
c	11.01 ± 0.004 Å
α	90°
β	110.91 ± 0.006°
γ	90°
Cell volume	2261.9 ± 1.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4506015.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506015.cif
57470	2012-05-18	cif/ Adding structures of 4506011, 4506012, 4506013, 4506014, 4506015, 4506016 via cif-deposit CGI script.	4506015.cif