Crystallography Open Database

Information card for entry 1551897

Preview

Coordinates	1551897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H53 Cl6 N O5 Os P4
Calculated formula	C60 H53 Cl6 N O5 Os P4
SMILES	C12=CC(=[O][Os]32([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C[P]3(c1ccccc1)c1ccccc1)Cl)c1ccccn1.ClCCl.O=Cl(=O)(=O)[O-].C(Cl)Cl
Title of publication	Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes
Authors of publication	Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen
Journal of publication	Faraday Discussions
Year of publication	2019
a	11.803 ± 0.0002 Å
b	16.4826 ± 0.0003 Å
c	15.1932 ± 0.0002 Å
α	90°
β	96.418 ± 0.001°
γ	90°
Cell volume	2937.22 ± 0.08 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216555 (current)	2019-06-26	cif/ Adding structures of 1551895, 1551896, 1551897 via cif-deposit CGI script.	1551897.cif