Crystallography Open Database

Information card for entry 7206165

7206164 << 7206165 >> 7206166

Preview

Coordinates	7206165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 N12 Ru2
Calculated formula	C48 H40 N12 Ru2
SMILES	c1(ccccc1)N1N=[N](c2ccccc2)[Ru]234[N](c5ccccc5)=NN(c5ccccc5)[Ru]14([N](c1ccccc1)=NN2c1ccccc1)[N](c1ccccc1)=NN3c1ccccc1
Title of publication	Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands
Authors of publication	Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.
Journal of publication	Green Chemistry
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	1885
a	18.7417 ± 0.0015 Å
b	25.884 ± 0.002 Å
c	9.8779 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4791.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1845
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.2117
Goodness-of-fit parameter for all reflections included in the refinement	0.839
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
180392 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61.	7206165.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206165.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206165.cif
23548	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206164, 7206165, 7206166, 7206167 via cif-deposit CGI script.	7206165.cif