Crystallography Open Database

Information card for entry 7114831

Preview

Coordinates	7114831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 Fe2 Si2
Calculated formula	C36 H52 Fe2 Si2
Title of publication	Silicon-bridged bis(cyclohexadienyl) iron complexes: the first structurally characterised [14]ferrocenophaneElectronic supplementary information (ESI) available: experimental details and NMR spectroscopic data. See http://www.rsc.org/suppdata/cc/b1/b107874g/
Authors of publication	Hascall, Tony; Drewitt, Mark J.; O′Hare, Dermot
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	24
Pages of publication	2600
a	9.597 ± 0.001 Å
b	15.977 ± 0.001 Å
c	11.106 ± 0.001 Å
α	90°
β	105.185 ± 0.001°
γ	90°
Cell volume	1643.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation probe	x-ray
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
180262 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/48.	7114831.cif
118363	2014-06-30	cif/ Adding structures of 7114830, 7114831, 7114832 via cif-deposit CGI script.	7114831.cif