Crystallography Open Database

Information card for entry 4069164

Preview

Coordinates	4069164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H82.5 B F24 O2.75 Os P2
Calculated formula	C75 H82.5 B F24 O2.75 Os P2
Title of publication	Selectivity of Allenylidene versus Butadienyl Protonation in an Osmium−Bisphosphine System
Authors of publication	Bolaño, Tamara; Collado, Alba; Esteruelas, Miguel A.; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2107
a	14.411 ± 0.004 Å
b	27.576 ± 0.008 Å
c	19.601 ± 0.006 Å
α	90°
β	94.223 ± 0.006°
γ	90°
Cell volume	7768 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1115
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4069164.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069164.cif
40158	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069164, 4069165 via cif-deposit CGI script.	4069164.cif