Crystallography Open Database

Information card for entry 7041554

Preview

Coordinates	7041554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H52 B F4 N8 O2 Ru2
Calculated formula	C44 H36 B F4 N8 Ru2
SMILES	[Ru]1234([Ru](N(c5[n]1cccc5)c1ccccc1)(N(c1[n]2cccc1)c1ccccc1)(N(c1[n]3cccc1)c1ccccc1)N(c1[n]4cccc1)c1ccccc1)[F]B(F)(F)F
Title of publication	Anilinopyridinate-supported Ru2(x+) (x = 5 or 6) paddlewheel complexes with labile axial ligands.
Authors of publication	Corcos, Amanda R.; Berry, John F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	17
Pages of publication	5532 - 5539
a	9.9326 ± 0.0002 Å
b	13.457 ± 0.0003 Å
c	19.0672 ± 0.0004 Å
α	74.8283 ± 0.0011°
β	79.4934 ± 0.0012°
γ	87.8322 ± 0.0011°
Cell volume	2418.38 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0421
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
196402 (current)	2017-05-06	cif/ Updating files of 7041550, 7041551, 7041552, 7041553, 7041554 Original log message: Adding full bibliography for 7041550--7041554.cif.	7041554.cif
189349	2016-12-23	cif/ Adding structures of 7041550, 7041551, 7041552, 7041553, 7041554 via cif-deposit CGI script.	7041554.cif