Crystallography Open Database

Information card for entry 4069911

Preview

Coordinates	4069911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl F6 P3 Ru
Calculated formula	C30 H28 Cl F6 P3 Ru
SMILES	[Ru]123456(Cl)([P](c7ccccc7)(c7ccccc7)C(=C[P]1(C#CC)c1ccccc1)C)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Stepwise Functionalization of Two Alkyne Moieties in a Dialkynylphosphine Complex Leading to the Formation of a Bifunctionalized Phosphine Complex Bearing a Stereogenic Center at Phosphorus
Authors of publication	Luo, Ding; Li, Yongxin; Tan, Kien-Wee; Leung, Pak-Hing
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	21
Pages of publication	6266
a	11.549 ± 0.0006 Å
b	18.2762 ± 0.001 Å
c	14.6245 ± 0.0008 Å
α	90°
β	102.269 ± 0.002°
γ	90°
Cell volume	3016.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0403
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178588 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/99.	4069911.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069911.cif
40510	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069911, 4069912 via cif-deposit CGI script.	4069911.cif