Crystallography Open Database

Information card for entry 7024404

Preview

Coordinates	7024404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H45 F6 N O2 P3 Ru S Sb Se
Calculated formula	C39 H45 F6 N O2 P3 Ru S Sb Se
SMILES	C12P(c3ccccc3)(c3ccccc3)=[Se][Ru]345672([c]2([cH]7[cH]6[c]5([cH]4[cH]32)C(C)C)C)[S]=P(N=P1(c1ccccc1)c1ccccc1)(OCC)OCC.[F-][Sb](F)(F)(F)(F)F
Title of publication	Access to the first (iminophosphoranyl)(selenophosphoranyl)methane ligands Ph2P(=Se)CH2P(=NR)Ph2: coordination of their methanide and methandiide anions to ruthenium.
Authors of publication	Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	3
Pages of publication	941 - 956
a	11.28 ± 0.0002 Å
b	11.7876 ± 0.0004 Å
c	16.7661 ± 0.0005 Å
α	82.136 ± 0.001°
β	80.647 ± 0.002°
γ	88.881 ± 0.002°
Cell volume	2178.96 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
179949 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/44.	7024404.cif
92472	2014-01-12	cif/ Adding structures of 7024401, 7024402, 7024403, 7024404, 7024405 via cif-deposit CGI script.	7024404.cif