Crystallography Open Database

Information card for entry 4068546

Preview

Coordinates	4068546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H39 Cl2 F6 Ir N3 O2 S Sb
Calculated formula	C26 H39 Cl2 F6 Ir N3 O2 S Sb
SMILES	[Ir]12345([NH2][C@H]6CCCC[C@@H]6N1S(=O)(=O)c1ccc(cc1)C)([N]#CC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Sb](F)(F)(F)(F)(F)[F-].ClCCl
Title of publication	Remarkable Positive Effect of Silver Salts on Asymmetric Hydrogenation of Acyclic Imines with Cp*Ir Complexes Bearing Chiral N-Sulfonylated Diamine Ligands
Authors of publication	Shirai, Shin-yo; Nara, Hideki; Kayaki, Yoshihito; Ikariya, Takao
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	802
a	10.2343 ± 0.0018 Å
b	13.632 ± 0.003 Å
c	23.778 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3317.4 ± 1.2 Å³
Cell temperature	93.1 K
Number of distinct elements	9
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	0.0351
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068546.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068546.cif
39857	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068546 via cif-deposit CGI script.	4068546.cif