Crystallography Open Database

Information card for entry 4069539

Preview

Coordinates	4069539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H51 B F4 Os P2
Calculated formula	C25 H51 B F4 Os P2
SMILES	[OsH]12345([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[cH]6[cH]5[cH]4[c]3([cH]2[cH]16)C.[B](F)(F)(F)[F-]
Title of publication	Trapping of a 12-Valence-Electron Osmium Intermediate
Authors of publication	Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; García-Raboso, Jorge; Oliván, Montserrat
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4606
a	8.571 ± 0.0003 Å
b	10.5741 ± 0.0005 Å
c	15.5455 ± 0.0005 Å
α	79.513 ± 0.003°
β	84.033 ± 0.003°
γ	88.269 ± 0.003°
Cell volume	1377.77 ± 0.09 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	0.0391
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178584 (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 4/06/95.	4069539.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069539.cif
40324	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069539, 4069540 via cif-deposit CGI script.	4069539.cif