Crystallography Open Database

Information card for entry 7110653

Preview

Coordinates	7110653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H77 B O P4 Ru S
Calculated formula	C51 H77 B O P4 Ru S
Title of publication	Regioselective 1,2-insertion of Ru into the C‒S bond in 3-substituted thiophenes
Authors of publication	Planas, Jose Giner; Hirano, Masafumi; Komiya, Sanshiro
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	18
Pages of publication	1793
a	11.485 ± 0.005 Å
b	24.678 ± 0.005 Å
c	18.369 ± 0.004 Å
α	90°
β	95.22 ± 0.03°
γ	90°
Cell volume	5185 ± 3 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	7
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	0.07
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.98
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7110653.cif
95666	2014-01-28	cif/ Adding structures of 7110652, 7110653 via cif-deposit CGI script.	7110653.cif