Crystallography Open Database

Information card for entry 4507525

Preview

Coordinates	4507525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 In N4 O S2
Calculated formula	C24 H19 In N4 O S2
Title of publication	In(SAr)3As a Building Block for 3D and Helical Coordination Polymers
Authors of publication	Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	1252
a	10.283 ± 0.003 Å
b	13.703 ± 0.003 Å
c	16.698 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2352.9 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179611 (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 4/50/75.	4507525.cif
85550	2013-05-07	cif/ Adding structures of 4507525 via cif-deposit CGI script.	4507525.cif