Crystallography Open Database

Information card for entry 4346782

Preview

Coordinates	4346782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H53 N O Os P2
Calculated formula	C31 H53 N O Os P2
SMILES	[OsH2]12([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]3c(C=C2Oc2c1cccc2)cccc3
Title of publication	2-Azetidinones as Precursors of Pincer Ligands: Preparation, Structure, and Spectroscopic Properties of CC'N-Osmium Complexes.
Authors of publication	Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oñate, Enrique; Sierra, Miguel A.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10998 - 11006
a	16.9598 ± 0.0007 Å
b	10.7831 ± 0.0004 Å
c	17.8747 ± 0.0007 Å
α	90°
β	107.179 ± 0.001°
γ	90°
Cell volume	3123.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0327
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
231980 (current)	2019-11-23	cif/ Adding structures of 4346782, 4346783, 4346784 via cif-deposit CGI script.	4346782.cif