Crystallography Open Database

Information card for entry 7006203

Preview

Coordinates	7006203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Cl2 Ir N2 O5 S2 Si
Calculated formula	C28 H37 Cl2 Ir N2 O5 S2 Si
SMILES	[Ir]12345(N(S(=O)(=O)c6ccc(cc6)C)[Si](N1S(=O)(=O)c1ccc(cc1)C)(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#[O].ClCCl
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	12.605 ± 0.003 Å
b	14.305 ± 0.004 Å
c	18.654 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3363.6 ± 1.5 Å³
Cell temperature	193.1 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	7006203.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006203.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006203.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006203.cif