Crystallography Open Database

Information card for entry 4335536

Preview

Coordinates	4335536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H136 Cl28 Dy N20 O20 Y
Calculated formula	C212 H124 Cl28 Dy N20 O20 Y
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	24.4237 ± 0.0001 Å
b	24.4237 ± 0.0001 Å
c	18.1193 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10808.5 ± 0.19 Å³
Cell temperature	107 ± 20 K
Ambient diffraction temperature	107 ± 20 K
Number of distinct elements	7
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	0.0882
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.2188
Weighted residual factors for all reflections included in the refinement	0.2269
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	4335536.cif
101469	2014-02-14	cif/ Adding structures of 4335536 via cif-deposit CGI script.	4335536.cif