Crystallography Open Database

Information card for entry 4107093

Preview

Coordinates	4107093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H33 Cl3 F24 P2 Pt
Calculated formula	C52 H31 Cl F24 P2 Pt
Title of publication	Chiral Allene-Containing Phosphines in Asymmetric Catalysis
Authors of publication	Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	18066 - 18069
a	12.9845 ± 0.0003 Å
b	13.4713 ± 0.0004 Å
c	17.6974 ± 0.0007 Å
α	91.562 ± 0.002°
β	95.931 ± 0.002°
γ	116.391 ± 0.002°
Cell volume	2748.81 ± 0.16 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0431
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178816 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/70.	4107093.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107093.cif
54744	2012-04-29	cif/ Adding structures of 4107093 via cif-deposit CGI script.	4107093.cif