Crystallography Open Database

Information card for entry 4070761

Preview

Coordinates	4070761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 F6 Ir N3 O2 P S
Calculated formula	C33 H39 F6 Ir N3 O2 P S
Title of publication	Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity
Authors of publication	Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1542
a	10.363 ± 0.0004 Å
b	11.7165 ± 0.0005 Å
c	16.5434 ± 0.0007 Å
α	72.085 ± 0.002°
β	77.22 ± 0.002°
γ	66.401 ± 0.002°
Cell volume	1740.32 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4070761.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070761.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070761.cif
42680	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070760, 4070761, 4070762, 4070763, 4070764, 4070765 via cif-deposit CGI script.	4070761.cif