Crystallography Open Database

Information card for entry 4107094

Preview

Coordinates	4107094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 Cl2 F12 P Pt
Calculated formula	C36 H27 Cl2 F12 P Pt
SMILES	Cl[Pt]12(Cl)[P](c3cc(cc(c3)C(F)(F)F)C(F)(F)F)(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3[C]1(C)=[C]2=C(C(C)(C)C)c1ccccc1
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	19.7185 ± 0.0005 Å
b	9.8541 ± 0.0002 Å
c	19.9184 ± 0.0007 Å
α	90°
β	91.13 ± 0.001°
γ	90°
Cell volume	3869.55 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0778
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4107094.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107094.cif
54745	2012-04-29	cif/ Adding structures of 4107094 via cif-deposit CGI script.	4107094.cif