Crystallography Open Database

Information card for entry 4083334

Preview

Coordinates	4083334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H56 B F10 P2 Ru
Calculated formula	C71 H56 B F10 P2 Ru
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	22.0269 ± 0.0009 Å
b	12.9666 ± 0.0005 Å
c	21.5355 ± 0.0009 Å
α	90°
β	107.048 ± 0.002°
γ	90°
Cell volume	5880.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0612
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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.	4083334.cif
114290	2014-05-23	cif/ Adding structures of 4083334 via cif-deposit CGI script.	4083334.cif