Crystallography Open Database

Information card for entry 1570967

Preview

Coordinates	1570967.cif
Original IUCr paper	HTML

Structure parameters

Common name	Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κN)ruthenium(II) bistriflate
Chemical name	Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κ<i>N</i>)ruthenium(II) bis(trifluoromethanesulfonate)
Formula	C28 H24 F6 N6 O8 Ru S2
Calculated formula	C28 H24 F6 N6 O8 Ru S2
Title of publication	Aquabis(2,2′-bipyridine-κ2 N,N′)(isonicotinamide-κN)ruthenium(II) bis(trifluoromethanesulfonate)
Authors of publication	Faubert, Liam; Arman, Hadi D.; Adrian, Rafael A.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	2
Pages of publication	x240114
a	9.7878 ± 0.0001 Å
b	26.2103 ± 0.0003 Å
c	12.6443 ± 0.0001 Å
α	90°
β	97.202 ± 0.001°
γ	90°
Cell volume	3218.19 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
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	0.0729
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1570967.cif
289771	2024-02-09	cif/ Adding structures of 1570967 via cif-deposit CGI script.	1570967.cif