Crystallography Open Database

Information card for entry 7212674

Preview

Structure parameters

Formula	C48 H32 F8 N12 Ru2
Calculated formula	C48 H32 F8 N12 Ru2
SMILES	c1(ccc(cc1)F)N1N=[N](c2ccc(cc2)F)[Ru]234[N](c5ccc(cc5)F)=NN(c5ccc(cc5)F)[Ru]14([N](c1ccc(cc1)F)=NN2c1ccc(cc1)F)[N](c1ccc(cc1)F)=NN3c1ccc(cc1)F
Title of publication	First microwave synthesis of multiple metal-metal bond paddlewheel compounds
Authors of publication	Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Urbanos, Francisco A.
Journal of publication	Green Chemistry
Year of publication	2010
Journal volume	12
Journal issue	6
Pages of publication	965
a	9.6596 ± 0.0004 Å
b	38.8963 ± 0.0017 Å
c	12.5248 ± 0.0005 Å
α	90°
β	102.989 ± 0.001°
γ	90°
Cell volume	4585.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0984
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7212674.cif
180457	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26.	7212674.cif
93219	2014-01-12	cif/ Adding structures of 7212674 via cif-deposit CGI script.	7212674.cif