Crystallography Open Database

Information card for entry 4344420

Preview

Coordinates	4344420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H16 Cl Mn N5 S4 Se
Calculated formula	C27 H16 Cl Mn N5 S4 Se
Title of publication	Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.
Authors of publication	Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10766 - 10775
a	9.74106 ± 0.00018 Å
b	14.7395 ± 0.0006 Å
c	31.8411 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4571.7 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1406
Residual factor for significantly intense reflections	0.124
Weighted residual factors for significantly intense reflections	0.3181
Weighted residual factors for all reflections included in the refinement	0.3366
Goodness-of-fit parameter for all reflections included in the refinement	1.253
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170786 (current)	2015-12-06	cif/ Updating files of 4344415, 4344416, 4344417, 4344418, 4344419, 4344420, 4344421 Original log message: Adding full bibliography for 4344415--4344421.cif.	4344420.cif
169895	2015-10-31	cif/ Adding structures of 4344415, 4344416, 4344417, 4344418, 4344419, 4344420, 4344421 via cif-deposit CGI script.	4344420.cif