Crystallography Open Database

Information card for entry 7036965

Preview

Coordinates	7036965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H19 Cl2 N5 O4 Ru
Calculated formula	C28 H19 Cl2 N5 O4 Ru
SMILES	[Ru]123(OC4=C(Cl)C(=O)C(=O)C(=C4O1)Cl)([n]1c(cccc1)c1[n]3cccc1)[n]1c(cccc1)c1[n]2cccc1.[N](#[C])C
Title of publication	A sequential logic gate-based "smart probe" for selective monitoring of Cu(2+), Fe(3+) and CN(-)/F(-)via differential analyses.
Authors of publication	Singh, Alok Kumar; Nagarajan, Rajamani
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	19786 - 19790
a	9.608 ± 0.005 Å
b	9.713 ± 0.005 Å
c	14.956 ± 0.005 Å
α	97.457 ± 0.005°
β	99.221 ± 0.005°
γ	104.685 ± 0.005°
Cell volume	1311.3 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2449
Weighted residual factors for all reflections included in the refinement	0.2526
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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
171138 (current)	2015-12-09	cif/ Updating files of 7036965 Original log message: Adding full bibliography for 7036965.cif.	7036965.cif
169857	2015-10-29	cif/ Adding structures of 7036965 via cif-deposit CGI script.	7036965.cif