Crystallography Open Database

Information card for entry 4108414

Preview

Coordinates	4108414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 In N O8 S2
Calculated formula	C16 H8 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	13.51 ± 0.0001 Å
b	13.51 ± 0.0001 Å
c	16.0684 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2932.81 ± 0.06 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	0.062
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	1.234
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.	4108414.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108414.cif
56768	2012-05-15	cif/ Adding structures of 4108414 via cif-deposit CGI script.	4108414.cif