Crystallography Open Database

Information card for entry 4334817

Preview

Coordinates	4334817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Fe Se4
Calculated formula	C26 H26 Fe Se4
Title of publication	Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit
Authors of publication	Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5786 - 5793
a	10.5443 ± 0.0016 Å
b	14.235 ± 0.002 Å
c	31.75 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4765.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179451 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48.	4334817.cif
100701	2014-02-07	cif/ Adding structures of 4334817 via cif-deposit CGI script.	4334817.cif