Crystallography Open Database

Information card for entry 4077539

Preview

Coordinates	4077539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H28 N2 O9 Os3
Calculated formula	C41 H28 N2 O9 Os3
SMILES	[Os]123([Os]([H]3)([Os]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[NH]2C(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[NH]=C(c1ccccc1)c1ccccc1.c1ccccc1
Title of publication	Approaches to Triosmium Carbonyl Cluster Compounds Derived from Benzophenone Imine. Characterization of Terminal Imino, Bridging Amido, and Orthometalated Imino Derivatives
Authors of publication	Cabeza, Javier A.; del Río, Ignacio; Grepioni, Fabrizia; Riera, Víctor
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	22
Pages of publication	4643
a	11.029 ± 0.001 Å
b	12.278 ± 0.001 Å
c	15.922 ± 0.002 Å
α	101.681 ± 0.004°
β	106.035 ± 0.003°
γ	94.08 ± 0.004°
Cell volume	2010.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1284
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	0.807
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
178664 (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 4/07/75.	4077539.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077539.cif
54617	2012-04-28	cif/ Adding structures of 4077538, 4077539, 4077540 via cif-deposit CGI script.	4077539.cif