Crystallography Open Database

Information card for entry 7054065

Preview

Coordinates	7054065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 Cl F18 N14 O2 P3 Ru2
Calculated formula	C47 H40 Cl F18 N14 O P3 Ru2
Title of publication	Dinuclear ruthenium complexes containing a new ditopic phthalazin-bis(triazole) ligand that promotes metal‒metal interactions
Authors of publication	Aguiló, Joan; Naeimi, Atena; Bofill, Roger; Mueller-Bunz, Helge; Llobet, Antoni; Escriche, Lluís; Sala, Xavier; Albrecht, Martin
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	5
Pages of publication	1980
a	11.8427 ± 0.0005 Å
b	21.0984 ± 0.0007 Å
c	12.933 ± 0.001 Å
α	90°
β	103.303 ± 0.006°
γ	90°
Cell volume	3144.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180094 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/40.	7054065.cif
109576	2014-04-16	cif/ Adding structures of 7054063, 7054064, 7054065 via cif-deposit CGI script.	7054065.cif