Crystallography Open Database

Information card for entry 4078768

Preview

Coordinates	4078768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H51 B2 Cl O4 Os P2
Calculated formula	C30 H51 B2 Cl O4 Os P2
SMILES	[OsH](Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(B1Oc2c(O1)cccc2)B1Oc2c(O1)cccc2
Title of publication	Preparation, Structure, Bonding, and Preliminary Reactivity of a Six-Coordinate d4Osmium‒Boryl Complex
Authors of publication	Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	13
Pages of publication	4646
a	15.523 ± 0.003 Å
b	19.47 ± 0.004 Å
c	22.098 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6679 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
178676 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/87.	4078768.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078768.cif
66391	2012-09-09	cif/ Adding structures of 4078768, 4078769, 4078770 via cif-deposit CGI script.	4078768.cif