Crystallography Open Database

Information card for entry 4507524

Preview

Coordinates	4507524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12.67 Cl3 In N6.33
Calculated formula	C19.008 H12.672 Cl3 In N6.336
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	22.086 ± 0.002 Å
b	22.086 ± 0.002 Å
c	22.086 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	10773.4 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.1683
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.1898
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	4507524.cif
85549	2013-05-07	cif/ Adding structures of 4507524 via cif-deposit CGI script.	4507524.cif