Crystallography Open Database

Information card for entry 4510198

Preview

Coordinates	4510198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N4 O6 Zn
Calculated formula	C20 H18 N4 O6 Zn
Title of publication	Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties
Authors of publication	Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1175
a	8.415 ± 0.0011 Å
b	10.1129 ± 0.0011 Å
c	14.677 ± 0.002 Å
α	74.174 ± 0.001°
β	80.742 ± 0.001°
γ	78.673 ± 0.001°
Cell volume	1170.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510198.cif
106420	2014-03-15	cif/ Adding structures of 4510197, 4510198, 4510199, 4510200, 4510201, 4510202 via cif-deposit CGI script.	4510198.cif