Crystallography Open Database

Information card for entry 4309490

Preview

Coordinates	4309490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H17 N2 O10 Os3 P
Calculated formula	C29 H17 N2 O10 Os3 P
SMILES	[Os]1([Os]23([Os]1([N](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=C2)(C#[O])(C#[O])(C#[O])[H]3)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis, Structure, and Transformation of Novel Osmium Azine and Ylide Complexes
Authors of publication	Te-Wei Chiu; Yen-Hsiang Liu; Kai-Ming Chi; Yuh-Sheng Wen; Kuang-Lieh Lu
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6425 - 6430
a	32.606 ± 0.018 Å
b	13.1568 ± 0.0018 Å
c	17.719 ± 0.009 Å
α	90°
β	121.83 ± 0.03°
γ	90°
Cell volume	6458 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0861
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
179132 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/94.	4309490.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309490.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309490.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309490.cif