Crystallography Open Database

Information card for entry 4068117

Preview

Coordinates	4068117.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	pentacarbonyl(bromo(dimethyl)stibine)chromium(0)
Formula	C7 H6 Br Cr O5 Sb
Calculated formula	C7 H6 Br Cr O5 Sb
SMILES	[Cr]([Sb](Br)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?
Authors of publication	Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	1025
a	16.261 ± 0.005 Å
b	6.488 ± 0.005 Å
c	12.287 ± 0.005 Å
α	90°
β	107.735 ± 0.005°
γ	90°
Cell volume	1234.7 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0661
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1804
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.268
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
178571 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/81.	4068117.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068117.cif
38085	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4068109, 4068110, 4068111, 4068112, 4068113, 4068114, 4068115, 4068116, 4068117, 4068118, 4068119 via cif-deposit CGI script.	4068117.cif