Crystallography Open Database

Information card for entry 4070949

Preview

Coordinates	4070949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.25 H49.5 Cl0.5 Ir N4 Si
Calculated formula	C57.25 H44 Cl0.5 Ir N4 Si
Title of publication	Base-Promoted Silicon−Hydrogen Bond Activation of Silanes by Iridium(III) Porphyrin Complexes
Authors of publication	Li, Baozhu; Chan, Kin Shing
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	16
Pages of publication	4034
a	13.78 ± 0.002 Å
b	51.702 ± 0.009 Å
c	15.311 ± 0.003 Å
α	90°
β	97.874 ± 0.004°
γ	90°
Cell volume	10806 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1371
Residual factor for significantly intense reflections	0.0986
Weighted residual factors for significantly intense reflections	0.2632
Weighted residual factors for all reflections included in the refinement	0.2851
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
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.	4070949.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070949.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070949.cif
42895	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070949 via cif-deposit CGI script.	4070949.cif