Crystallography Open Database

Information card for entry 7040950

Preview

Coordinates	7040950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H25 Cl N6 O6 Os
Calculated formula	C35 H25 Cl N6 O6 Os
SMILES	[Os]123(Oc4ccc5c6c4c(O1)ccc6CC=C5)([N](=Nc1[n]2cccc1)c1ccccc1)[N](=Nc1[n]3cccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Different manifestations of enhanced π-acceptor ligation at every redox level of [Os(9-OP)L2](n), n = 2+, +, 0, - (9-OP(-) = 9-oxidophenalenone and L = bpy or pap).
Authors of publication	Hazari, Arijit Singha; Paretzki, Alexa; Fiedler, Jan; Zalis, Stanislav; Kaim, Wolfgang; Lahiri, Goutam Kumar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	45
Pages of publication	18241 - 18251
a	10.552 ± 0.002 Å
b	19.785 ± 0.003 Å
c	15.902 ± 0.002 Å
α	90°
β	109.019 ± 0.001°
γ	90°
Cell volume	3138.7 ± 0.9 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190161 (current)	2017-01-09	cif/ Updating files of 7040949, 7040950 Original log message: Adding full bibliography for 7040949--7040950.cif.	7040950.cif
187382	2016-10-18	cif/ Adding structures of 7040949, 7040950 via cif-deposit CGI script.	7040950.cif