Crystallography Open Database

Information card for entry 7060038

Preview

Coordinates	7060038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Cl3 N9 O13 Ru
Calculated formula	C25 H22 Cl3 N9 O13 Ru
SMILES	[Ru]123([n]4c(c5[n]1c(nc(n5)N(C)C)c1cccc[n]31)cccc4)([n]1c(c3[n]2cccc3)cccc1)N=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO
Authors of publication	Giri, Bishnubasu; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Maji, Somnath
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	43
Pages of publication	18732 - 18744
a	22.621 ± 0.003 Å
b	10.9659 ± 0.0014 Å
c	14.998 ± 0.002 Å
α	90°
β	102.13 ± 0.016°
γ	90°
Cell volume	3637.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.2722
Residual factor for significantly intense reflections	0.1722
Weighted residual factors for significantly intense reflections	0.4224
Weighted residual factors for all reflections included in the refinement	0.4846
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
259614 (current)	2020-12-06	cif/ Updating files of 7060037, 7060038, 7060039 Original log message: Adding full bibliography for 7060037--7060039.cif.	7060038.cif
258324	2020-10-13	cif/ Adding structures of 7060037, 7060038, 7060039 via cif-deposit CGI script.	7060038.cif