Crystallography Open Database

Information card for entry 7058808

Preview

Coordinates	7058808.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ru(dgpy)(CO2HPh-tpy)] [(PF6)2]
Chemical name	[{2,6-bis(3,4,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-1(6H)-yl)pyridine}{4-([2,2':6',2''-terpyridin]-4'-yl)benzoic acid}]ruthenium(II) hexafluorophosphate
Formula	C44 H48 F12 N10 O3 P2 Ru
Calculated formula	C44 H48 F12 N10 O3 P2 Ru
Title of publication	Panchromatic Ru(ii)-polypyridyl complexes as NIR emitters
Authors of publication	Pal, Amlan K.; Adusumalli, Venkata Nanda Kishor Babu
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	37
Pages of publication	14669
a	8.4554 ± 0.0002 Å
b	13.7942 ± 0.0004 Å
c	20.8461 ± 0.0005 Å
α	97.201 ± 0.0014°
β	94.249 ± 0.0015°
γ	106.877 ± 0.0014°
Cell volume	2292.64 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.0439
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.0486
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224698 (current)	2019-11-08	cif/ Updating files of 7058808 Original log message: Adding full bibliography for 7058808.cif.	7058808.cif
217952	2019-09-04	cif/ Adding structures of 7058808 via cif-deposit CGI script.	7058808.cif