Crystallography Open Database

Information card for entry 1513892

Preview

Coordinates	1513892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 Fe2 I2 O4 Si
Calculated formula	C19 H18 Fe2 I2 O4 Si
SMILES	I[Fe]1234(C#[O])(C#[O])[c]56[c]1([cH]2[cH]3[cH]46)C([c]12[c]3([Fe]461(I)(C#[O])(C#[O])[cH]2[cH]4[cH]36)[Si]5(C)C)(C)C
Title of publication	Structures and reactivity of doubly-bridged dicyclopentadienyl dinuclear iron complexes
Authors of publication	Zhu, Bo-Lin; Hao, Xiao-Ting; Shi, Wei
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Journal volume	414
Pages of publication	21 - 26
a	8.693 ± 0.003 Å
b	9.234 ± 0.003 Å
c	16.569 ± 0.006 Å
α	90.565 ± 0.006°
β	104.378 ± 0.007°
γ	112.942 ± 0.006°
Cell volume	1177.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1075
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513892.cif
107617	2014-03-20	cif/ Adding structures of 1513892 via cif-deposit CGI script.	1513892.cif