Crystallography Open Database

Information card for entry 4074808

Preview

Coordinates	4074808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H55 Cl4 Ir P4 S2
Calculated formula	C62 H55 Cl4 Ir P4 S2
Title of publication	Addition of H2 on (Sulfur, Phosphorus, Sulfur)-Pincer-Based Rhodium(I), Iridium(I), Palladium(II), and Platinum(II) Complexes: Reactivity and Regioselectivity
Authors of publication	Doux, Marjolaine; Ricard, Louis; Le Floch, Pascal; Jean, Yves
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	5
Pages of publication	1101 - 1111
a	11.341 ± 0.001 Å
b	14.451 ± 0.001 Å
c	18.657 ± 0.001 Å
α	85.269 ± 0.001°
β	77.11 ± 0.001°
γ	73.935 ± 0.001°
Cell volume	2863.5 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
209879 (current)	2018-08-17	cif/4/ Updating bibliography in entries 4060878, 4074808. Marking entry 4060878 as a duplicate of entry 4074808.	4074808.cif
178637	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 4/07/48.	4074808.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074808.cif
48838	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074808 via cif-deposit CGI script.	4074808.cif