Crystallography Open Database

Information card for entry 4349412

Preview

Coordinates	4349412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H52 Ag F3 N4 O3 P8 S5
Calculated formula	C53 H52 Ag F3 N4 O3 P8 S5
SMILES	[Ag]12([P@]3(SP(N(P(S[P@@]1(N3C)c1ccccc1)c1ccccc1)C)c1ccccc1)c1ccccc1)[P@]1(S[P@@]2(N(P(SP(N1C)c1ccccc1)c1ccccc1)C)c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.
Authors of publication	Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	15
Pages of publication	8698 - 8704
a	26.0999 ± 0.0003 Å
b	25.8868 ± 0.0003 Å
c	10.92456 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	7381.1 ± 0.13 Å³
Cell temperature	99.98 ± 0.13 K
Ambient diffraction temperature	99.98 ± 0.13 K
Number of distinct elements	8
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233961 (current)	2019-11-23	cif/ Adding structures of 4349412 via cif-deposit CGI script.	4349412.cif