Crystallography Open Database

Information card for entry 4344421

Preview

Coordinates	4344421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H83 Cl14 Cu4 N19 O16 S16
Calculated formula	C115 H83 Cl14 Cu4 N19 O16 S16
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	15.8574 ± 0.0005 Å
b	19.3325 ± 0.0011 Å
c	25.2962 ± 0.001 Å
α	90°
β	102.694 ± 0.004°
γ	90°
Cell volume	7565.3 ± 0.6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
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	0.0987
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.2388
Weighted residual factors for all reflections included in the refinement	0.2595
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation probe	x-ray
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
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.	4344421.cif
169895	2015-10-31	cif/ Adding structures of 4344415, 4344416, 4344417, 4344418, 4344419, 4344420, 4344421 via cif-deposit CGI script.	4344421.cif