Crystallography Open Database

Information card for entry 4509996

Preview

Coordinates	4509996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N3 O2 S
Calculated formula	C24 H21 N3 O2 S
SMILES	S(=O)(=O)(N(c1ccc(c2ccncc2)cc1)CC)c1ccc(cc1)c1ccncc1
Title of publication	Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures
Authors of publication	Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	199
a	18.845 ± 0.003 Å
b	18.777 ± 0.003 Å
c	12.6102 ± 0.0019 Å
α	90°
β	115.589 ± 0.002°
γ	90°
Cell volume	4024.5 ± 1.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509996.cif
104163	2014-03-10	cif/ Adding structures of 4509996 via cif-deposit CGI script.	4509996.cif