Crystallography Open Database

Information card for entry 4068113

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Coordinates	4068113.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dibromo-methyl(1,10-phenanthroline-N,N')antimony(III)
Formula	C13 H11 Br2 N2 Sb
Calculated formula	C13 H11 Br2 N2 Sb
SMILES	C[Sb]1(Br)([n]2cccc3c2c2c(ccc[n]12)cc3)Br
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	7.7806 ± 0.0015 Å
b	16.546 ± 0.003 Å
c	5.5726 ± 0.001 Å
α	90°
β	98.455 ± 0.01°
γ	90°
Cell volume	709.6 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0182
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0414
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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.	4068113.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068113.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.	4068113.cif