Crystallography Open Database

Information card for entry 4108413

Preview

Coordinates	4108413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 In N O8 S2
Calculated formula	C14 H4 In N O8 S2
Title of publication	Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis
Authors of publication	Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12882 - 12883
a	13.577 ± 0.0004 Å
b	13.577 ± 0.0004 Å
c	15.5394 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2864.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	91
Hermann-Mauguin space group symbol	P 41 2 2
Hall space group symbol	P 4w 2c
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
178830 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/84.	4108413.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108413.cif
56767	2012-05-15	cif/ Adding structures of 4108413 via cif-deposit CGI script.	4108413.cif