Crystallography Open Database

Information card for entry 8102429

Preview

Coordinates	8102429.cif

Structure parameters

Formula	C11 H11 N4
Calculated formula	C11 H11 N4
Title of publication	Crystal structure of 1,4-bis[(2-phenylazo)imidazol- 1-yl]-butane, C22H22N8
Authors of publication	Jing-Jing Hu; Chuan-Ming Jin; Zhu Zhu; Hong-Feng Mei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	2
Pages of publication	219
a	8.185 ± 0.0011 Å
b	12.9063 ± 0.0017 Å
c	9.8571 ± 0.0013 Å
α	90°
β	101.572 ± 0.002°
γ	90°
Cell volume	1020.1 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
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	0.0985
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1603
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102429.cif
176728	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 8.	8102429.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102429.cif
13168	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102429 via cif-deposit CGI script.	8102429.cif