Crystallography Open Database

Information card for entry 7712177

Preview

Coordinates	7712177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 F12 N8 O2 P2 Ru
Calculated formula	C40 H34 F12 N8 O2 P2 Ru
SMILES	c1c[n]2c3c(c1NCCO)ccc1c(cc[n](c31)[Ru]132([n]2cccc4ccc5ccc[n]1c5c24)[n]1cccc2ccc4ccc[n]3c4c12)NCCO.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	An aggregation induced emission active bis-heteroleptic ruthenium(II) complex for luminescence light-up detection of pyrophosphate ions.
Authors of publication	Patra, Sumit Kumar; Rabha, Monosh; Sen, Bhaskar; Aguan, Kripamoy; Khatua, Snehadrinarayan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	9
Pages of publication	2592 - 2602
a	12.766 ± 0.004 Å
b	29.689 ± 0.008 Å
c	15.064 ± 0.004 Å
α	89.982 ± 0.008°
β	101.429 ± 0.008°
γ	90.015 ± 0.009°
Cell volume	5596 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.4986
Residual factor for significantly intense reflections	0.2246
Weighted residual factors for significantly intense reflections	0.458
Weighted residual factors for all reflections included in the refinement	0.5491
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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
283223 (current)	2023-05-05	cif/ Updating files of 7712177 Original log message: Adding full bibliography for 7712177.cif.	7712177.cif
280544	2023-01-24	cif/ Adding structures of 7712177 via cif-deposit CGI script.	7712177.cif