Crystallography Open Database

Information card for entry 4335014

Preview

Coordinates	4335014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H63.5 Co N4 O9.25 P3 Tb
Calculated formula	C61 H63.5 Co N4 O9.25 P3 Tb
Title of publication	Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand
Authors of publication	Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6407 - 6416
a	49.9431 ± 0.001 Å
b	13.244 ± 0.002 Å
c	19.2086 ± 0.001 Å
α	90°
β	110.061 ± 0.002°
γ	90°
Cell volume	11934.6 ± 1.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4335014.cif
100918	2014-02-10	cif/ Adding structures of 4335014 via cif-deposit CGI script.	4335014.cif