Crystallography Open Database

Information card for entry 4335535

Preview

Coordinates	4335535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H129 Cl28 Dy2 N20 O16
Calculated formula	C212 H124 Cl28 Dy2 N20 O16
Title of publication	Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature
Authors of publication	Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8505 - 8510
a	24.4126 ± 0.0002 Å
b	24.4126 ± 0.0002 Å
c	18.0724 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	10770.7 ± 0.3 Å³
Cell temperature	126 ± 9 K
Ambient diffraction temperature	126 ± 9 K
Number of distinct elements	6
Space group number	104
Hermann-Mauguin space group symbol	P 4 n c
Hall space group symbol	P 4 -2n
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1934
Weighted residual factors for all reflections included in the refinement	0.2032
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4335535.cif
101468	2014-02-14	cif/ Adding structures of 4335535 via cif-deposit CGI script.	4335535.cif