Crystallography Open Database

Information card for entry 7044158

Preview

Coordinates	7044158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H40 Ag Cl3 F3 N3 O9 P2 S
Calculated formula	C43 H40 Ag Cl3 F3 N3 O9 P2 S
SMILES	[Ag]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[O]=P(Oc3ccccc3)(Oc3ccccc3)C(C(C)C)[NH]1NC(=[O]2)c1ccc(cc1)N(=O)=O.S(=O)(=O)([O-])C(F)(F)F.C(Cl)(Cl)Cl
Title of publication	Highly active group 11 metal complexes with α- hydrazidophosphonate ligands
Authors of publication	Gimeno, M. Concepcion; Salvador-Gil, Daniel; Ortego, Lourdes; Herrera, Raquel P.; Marzo, Isabel
Journal of publication	Dalton Trans.
Year of publication	2017
a	12.471 ± 0.003 Å
b	14.158 ± 0.003 Å
c	14.41 ± 0.003 Å
α	95.73 ± 0.03°
β	90.95 ± 0.03°
γ	105.66 ± 0.03°
Cell volume	2435.1 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
200571 (current)	2017-09-12	cif/ Adding structures of 7044158, 7044159 via cif-deposit CGI script.	7044158.cif