Crystallography Open Database

Information card for entry 4334816

Preview

Coordinates	4334816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 Fe Se4
Calculated formula	C28 H30 Fe Se4
SMILES	[Se]1[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([cH]%10[cH]9[cH]8[cH]72)[Se]CCC[Se]Cc2cccc3cccc(C[Se]CCC1)c23
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	9.099 ± 0.002 Å
b	10.769 ± 0.003 Å
c	14.734 ± 0.004 Å
α	73.561 ± 0.004°
β	77.913 ± 0.004°
γ	70.602 ± 0.005°
Cell volume	1295.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
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.	4334816.cif
100700	2014-02-07	cif/ Adding structures of 4334816 via cif-deposit CGI script.	4334816.cif