Crystallography Open Database

Information card for entry 1556466

Preview

Coordinates	1556466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Br O8 Ru2
Calculated formula	C32 H28 Br O8 Ru2
SMILES	[Ru]1234[O]=C(c5ccc(cc5)C)O[Ru]2([O]=C(c2ccc(cc2)C)O1)(OC(c1ccc(cc1)C)=[O]3)([O]=C(c1ccc(cc1)C)O4)[Br][Ru]1234[O]=C(c5ccc(cc5)C)O[Ru]2([O]=C(c2ccc(cc2)C)O1)(OC(c1ccc(cc1)C)=[O]3)([O]=C(c1ccc(cc1)C)O4)[Br]
Title of publication	Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties
Authors of publication	Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.
Journal of publication	Inorganics
Year of publication	2014
Journal volume	2
Pages of publication	524 - 536
a	12.9939 ± 0.0007 Å
b	10.1996 ± 0.0005 Å
c	24.8297 ± 0.0016 Å
α	90°
β	94.623 ± 0.005°
γ	90°
Cell volume	3280 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
244952 (current)	2019-12-09	cif/ Adding structures of 1556466 via cif-deposit CGI script.	1556466.cif