Crystallography Open Database

Information card for entry 4089299

Preview

Coordinates	4089299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H59 N3 O Os P2
Calculated formula	C34 H59 N3 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(c4nn(C)cc14)cccc3c1c2cccc1.OC
Title of publication	Preparation of Phosphorescent Osmium(IV) Complexes with N,N′,C- and C,N,C′-Pincer Ligands
Authors of publication	Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	9
Pages of publication	1848
a	11.0767 ± 0.0005 Å
b	14.5769 ± 0.0007 Å
c	22.157 ± 0.0011 Å
α	90°
β	103.889 ± 0.001°
γ	90°
Cell volume	3473 ± 0.3 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	0.037
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
238097 (current)	2019-11-24	cif/ Adding structures of 4089298, 4089299, 4089300 via cif-deposit CGI script.	4089299.cif