Crystallography Open Database

Information card for entry 4309930

Preview

Coordinates	4309930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 Cl N2 O Tl
Calculated formula	C8 H4 Cl N2 O Tl
Title of publication	Double-Stranded Metal-Organic Networks for One-Dimensional Mixed Valence Coordination Polymers
Authors of publication	Daniel Robertson; John F. Cannon; Nikolay Gerasimchuk
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8326 - 8342
a	3.8382 ± 0.0007 Å
b	11.0065 ± 0.0018 Å
c	20.901 ± 0.004 Å
α	90°
β	92.447 ± 0.003°
γ	90°
Cell volume	882.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0717
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.282
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
179137 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/99.	4309930.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309930.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309930.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309930.cif