Crystallography Open Database

Information card for entry 1551896

Preview

Coordinates	1551896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 Cl F3 N2 O4 Os P4 S
Calculated formula	C64 H54 Cl F3 N2 O4 Os P4 S
SMILES	[Os]12(Cl)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C1=CC(O)(c2[n+]1cccc2)c1ncccc1.S(=O)(=O)([O-])C(F)(F)F
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	11.215 ± 0.0006 Å
b	28.5467 ± 0.0012 Å
c	18.0657 ± 0.0007 Å
α	90°
β	91.401 ± 0.002°
γ	90°
Cell volume	5782 ± 0.5 Å³
Cell temperature	233 ± 0.2 K
Ambient diffraction temperature	233 ± 0.2 K
Number of distinct elements	9
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	0.0392
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
216555 (current)	2019-06-26	cif/ Adding structures of 1551895, 1551896, 1551897 via cif-deposit CGI script.	1551896.cif