Crystallography Open Database

Information card for entry 7024405

Preview

Coordinates	7024405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H77 F4 N7 P2 Ru Se
Calculated formula	C87 H77 F4 N7 P2 Ru Se
SMILES	C1(C(=Nc2c(cccc2C)C)[Ru](C#[N]c2c(cccc2C)C)(C#[N]c2c(cccc2C)C)(C#[N]c2c(cccc2C)C)(C#[N]c2c(cccc2C)C)[Se][P]=1(c1ccccc1)c1ccccc1)P(c1ccccc1)(c1ccccc1)=Nc1c(c(F)nc(c1F)F)F.c1ccccc1.c1ccccc1
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	14.3993 ± 0.0005 Å
b	15.7608 ± 0.0004 Å
c	18.2825 ± 0.0004 Å
α	76.77 ± 0.002°
β	85.316 ± 0.002°
γ	73.684 ± 0.002°
Cell volume	3875.66 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7024405.cif
92472	2014-01-12	cif/ Adding structures of 7024401, 7024402, 7024403, 7024404, 7024405 via cif-deposit CGI script.	7024405.cif