Crystallography Open Database

Information card for entry 4106587

Preview

Coordinates	4106587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 B12 Cl16 Fe2 Si2
Calculated formula	C42 H50 B12 Cl16 Fe2 Si2
Title of publication	A Unique Transition Metal-Stabilized Silicon Cation
Authors of publication	Kristine Müther; Roland Fröhlich; Christian Mück-Lichtenfeld; Stefan Grimme; Martin Oestreich
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12442 - 12444
a	13.5158 ± 0.0003 Å
b	17.0228 ± 0.0003 Å
c	26.8741 ± 0.0005 Å
α	90°
β	95.909 ± 0.001°
γ	90°
Cell volume	6150.3 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1344
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.2951
Weighted residual factors for all reflections included in the refinement	0.3307
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106587.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106587.cif
53389	2012-04-19	cif/ Adding structures of 4106587 via cif-deposit CGI script.	4106587.cif