Crystallography Open Database

Information card for entry 4513541

Preview

Coordinates	4513541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H12 Ag F3 N2 O3 S4
Calculated formula	C21 H12 Ag F3 N2 O3 S4
Title of publication	Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations
Authors of publication	Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	9
Pages of publication	4377
a	11.685 ± 0.003 Å
b	12.44 ± 0.004 Å
c	13.933 ± 0.004 Å
α	80.464 ± 0.004°
β	77.996 ± 0.004°
γ	64.417 ± 0.004°
Cell volume	1780.2 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
154589 (current)	2015-09-06	cif/ Updating files of 4513539, 4513540, 4513541, 4513542, 4513543, 4513544, 4513545 Original log message: Adding full bibliography for 4513539--4513545.cif.	4513541.cif
153647	2015-08-26	cif/ Adding structures of 4513539, 4513540, 4513541, 4513542, 4513543, 4513544, 4513545 via cif-deposit CGI script.	4513541.cif