Crystallography Open Database

Information card for entry 4512826

Preview

Coordinates	4512826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Ag F3 N4 O5 S
Calculated formula	C19 H16 Ag F3 N4 O5 S
Title of publication	The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes
Authors of publication	Baena, María J.; Coco, Silverio; Espinet, Pablo
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	4
Pages of publication	1611
a	10.022 ± 0.002 Å
b	15.506 ± 0.003 Å
c	15.864 ± 0.003 Å
α	95.75 ± 0.03°
β	102.23 ± 0.03°
γ	104.7 ± 0.03°
Cell volume	2299.4 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1311
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2387
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179676 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/28.	4512826.cif
134729	2015-04-04	cif/ Updating files of 4512823, 4512824, 4512825, 4512826, 4512827 Original log message: Adding full bibliography for 4512823--4512827.cif.	4512826.cif
133088	2015-03-06	cif/ Adding structures of 4512823, 4512824, 4512825, 4512826, 4512827 via cif-deposit CGI script.	4512826.cif