Crystallography Open Database

Information card for entry 7111731

Preview

Coordinates	7111731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H45 Ag3 Ga N9 O18 S3
Calculated formula	C39 H27 Ag3 Ga N6 O6
Title of publication	Dipyridyl β-diketonate complexes: versatile polydentate metalloligands for metal‒organic frameworks and hydrogen-bonded networks
Authors of publication	Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Raithby, Paul R.; Renouf, Catherine L.; Richardson, Christopher; Stevenson, Anna J.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	28
Pages of publication	5067 - 5069
a	22.993 ± 0.0006 Å
b	22.993 ± 0.0006 Å
c	71.297 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	32643.2 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.1102
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.2698
Weighted residual factors for all reflections included in the refinement	0.2856
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111731.cif
96754	2014-01-29	cif/ Adding structures of 7111729, 7111730, 7111731, 7111732 via cif-deposit CGI script.	7111731.cif