Crystallography Open Database

Information card for entry 7125541

Preview

Coordinates	7125541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Ag N5 O5 S3
Calculated formula	C17 H27 Ag N5 O5 S3
Title of publication	Ditopic azathioether macrocycles as hosts for transition metal saltsElectronic supplementary information (ESI) available: full experimental details. See http://www.rsc.org/suppdata/cc/b1/b109486f/
Authors of publication	Love, Jason B.; Vere, Joanna M.; Glenny, Mark W.; Blake, Alexander J.; Schröder, Martin
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	24
Pages of publication	2678
a	34.987 ± 0.011 Å
b	8.892 ± 0.003 Å
c	16.046 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	4992 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.165
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243999 (current)	2019-11-28	cif/ Adding structures of 7125539, 7125540, 7125541 via cif-deposit CGI script.	7125541.cif