Crystallography Open Database

Information card for entry 4329174

Preview

Coordinates	4329174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H51 Cl3 Fe2 Lu N12 O
Calculated formula	C75 H45 Cl3 Fe2 Lu N12 O
Title of publication	Ferrocene-Decorated (Phthalocyaninato)(Porphyrinato) Double- and Triple-Decker Rare Earth Complexes: Synthesis, Structure, and Electrochemical Properties
Authors of publication	Peihua Zhu; Xiuwen Zhang; Hailong Wang; Yuexing Zhang; Yongzhong Bian; Jianzhuang Jiang
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5651 - 5659
a	19.4185 ± 0.0003 Å
b	18.8442 ± 0.0003 Å
c	17.3971 ± 0.0002 Å
α	90°
β	101.445 ± 0.001°
γ	90°
Cell volume	6239.47 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1664
Weighted residual factors for all reflections included in the refinement	0.1781
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54184 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.	4329174.cif
78214	2013-04-01	cif/ Adding structures of 4329174 via cif-deposit CGI script.	4329174.cif