Crystallography Open Database

Information card for entry 4071595

Preview

Coordinates	4071595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 Cl4 Ir P
Calculated formula	C27 H28 Cl4 Ir P
Title of publication	Iridium Complexes in Olefination Reactions
Authors of publication	Lebel, Hélène; Ladjel, Chehla
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	11
Pages of publication	2676
a	9.7472 ± 0.0003 Å
b	12.0024 ± 0.0003 Å
c	11.4226 ± 0.0003 Å
α	90°
β	99.241 ± 0.001°
γ	90°
Cell volume	1318.98 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178604 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15.	4071595.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071595.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071595.cif
43935	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071595 via cif-deposit CGI script.	4071595.cif