Crystallography Open Database

Information card for entry 4507523

Preview

Coordinates	4507523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 In N4 S3
Calculated formula	C30 H23 In N4 S3
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	22.375 ± 0.002 Å
b	22.375 ± 0.002 Å
c	22.375 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	11201.8 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	211
Hermann-Mauguin space group symbol	I 4 3 2
Hall space group symbol	I 4 2 3
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.2173
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4507523.cif
85548	2013-05-07	cif/ Adding structures of 4507523 via cif-deposit CGI script.	4507523.cif