Crystallography Open Database

Information card for entry 4082487

Preview

Coordinates	4082487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H49 Cl3 F6 O3 P Ru Sb
Calculated formula	C37 H49 Cl3 F6 O3 P Ru Sb
Title of publication	Arene‒Ruthenium Chemistry and Brønsted Acid Catalysis of a Chiral Phosphane-Hydroxyl Ligand
Authors of publication	Carmona, Daniel; Lamata, M. Pilar; Pardo, Pilar; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Alkorta, Ibon; Elguero, José; Oro, Luis A.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	616
a	11.248 ± 0.0011 Å
b	15.7888 ± 0.0016 Å
c	23.402 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4156 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1509
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178713 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24.	4082487.cif
104421	2014-03-11	cif/ Adding structures of 4082487, 4082488 via cif-deposit CGI script.	4082487.cif