Crystallography Open Database

Information card for entry 4078770

Preview

Coordinates	4078770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H46 B Cl O3 Os P2
Calculated formula	C25 H46 B Cl O3 Os P2
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	16.246 ± 0.003 Å
b	10.8358 ± 0.0018 Å
c	16.886 ± 0.003 Å
α	90°
β	106.226 ± 0.002°
γ	90°
Cell volume	2854.2 ± 0.9 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	0.1107
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
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.	4078770.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078770.cif
66391	2012-09-09	cif/ Adding structures of 4078768, 4078769, 4078770 via cif-deposit CGI script.	4078770.cif