Crystallography Open Database

Information card for entry 4083333

Preview

Coordinates	4083333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H38 B F10 P Ru
Calculated formula	C49 H38 B F10 P Ru
SMILES	[Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([H][B]([C]1#[C]2c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]6[cH]5[cH]4[cH]31.C1CCCCC1
Title of publication	Reactions of Ru-alkynyl Complexes with Electrophilic Boranes
Authors of publication	Boone, Michael P.; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	20
Pages of publication	5537
a	9.7474 ± 0.001 Å
b	18.4021 ± 0.0016 Å
c	24.467 ± 0.003 Å
α	87.381 ± 0.007°
β	81.646 ± 0.007°
γ	74.766 ± 0.006°
Cell volume	4189.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.2201
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.222
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
178722 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33.	4083333.cif
114289	2014-05-23	cif/ Adding structures of 4083333 via cif-deposit CGI script.	4083333.cif