Crystallography Open Database

Information card for entry 7006201

Preview

Coordinates	7006201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 Ir N2 O4 P S2 Si
Calculated formula	C44 H50 Ir N2 O4 P S2 Si
SMILES	[Ir]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)(N(S(=O)(=O)c6ccc(cc6)C)[Si](N1S(=O)(=O)c1ccc(cc1)C)(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
Title of publication	Silylenediamido [(CH3)2Si(NTs)2(2-); Ts = p-CH3C6H4SO2] complexes of iridium: synthesis, structures and facile Si-N bond cleavage.
Authors of publication	Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	33
Pages of publication	3606 - 3608
a	10.474 ± 0.004 Å
b	19.55 ± 0.007 Å
c	20.356 ± 0.007 Å
α	90°
β	91.55 ± 0.005°
γ	90°
Cell volume	4167 ± 3 Å³
Cell temperature	193.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7006201.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006201.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006201.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006201.cif