Crystallography Open Database

Information card for entry 4313784

Preview

Coordinates	4313784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Cl2 I2 Ir2 O6 S2 Ti
Calculated formula	C15 H12 Cl2 I2 Ir2 O6 S2 Ti
Title of publication	Stereoselective Oxidative Additions of Iodoalkanes and Activated Alkynes to a Sulfido-Bridged Heterotrinuclear Early-Late (TiIr2) Complex
Authors of publication	Miguel A. Casado; Jesús J. Pérez-Torrente; Miguel A. Ciriano; Isabel T. Dobrinovitch; Fernando J. Lahoz; Luis A. Oro
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3956 - 3964
a	14.4291 ± 0.0009 Å
b	9.9988 ± 0.0006 Å
c	18.2839 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2637.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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
179202 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/37.	4313784.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313784.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313784.cif
6853	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313784 via cif-deposit CGI script.	4313784.cif