Crystallography Open Database

Information card for entry 4089164

Preview

Coordinates	4089164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H41 N4 O Os P
Calculated formula	C38 H41 N4 O Os P
SMILES	[Os]123([P](C(C)C)(C(C)C)C(C)C)(c4ccccc4N4C=1N(c1c4cccc1)CCN1C=2N(c2c1cccc2)c1ccccc31)C#[O]
Title of publication	Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand
Authors of publication	Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	23
Pages of publication	3981
a	13.485 ± 0.002 Å
b	15.011 ± 0.003 Å
c	16.212 ± 0.003 Å
α	90°
β	100.785 ± 0.002°
γ	90°
Cell volume	3223.7 ± 1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0817
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
238011 (current)	2019-11-24	cif/ Adding structures of 4089163, 4089164, 4089165, 4089166, 4089167, 4089168 via cif-deposit CGI script.	4089164.cif