Crystallography Open Database

Information card for entry 4077176

Preview

Coordinates	4077176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Fe2 O12 Sn2
Calculated formula	C24 H36 Fe2 O12 Sn2
SMILES	CC(C)(C)[O]1[Sn]([Fe](C#[O])(C#[O])(C#[O])C#[O])([O](C(C)(C)C)[Sn]1(OC(C)(C)C)[Fe](C#[O])(C#[O])(C#[O])C#[O])OC(C)(C)C
Title of publication	New Mono- and Polynuclear Iron Silylene and Stannylene Complexes
Authors of publication	Braunstein, Pierre; Veith, Michael; Blin, Joël; Huch, Volker
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	4
Pages of publication	627
a	8.996 ± 0.002 Å
b	11.638 ± 0.002 Å
c	16.057 ± 0.003 Å
α	90°
β	92.13 ± 0.03°
γ	90°
Cell volume	1679.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0341
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178660 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/71.	4077176.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077176.cif
54243	2012-04-24	cif/ Adding structures of 4077173, 4077174, 4077175, 4077176 via cif-deposit CGI script.	4077176.cif