Crystallography Open Database

Information card for entry 4103606

Preview

Coordinates	4103606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.67 H28 In6 N0.67 O37.33
Calculated formula	C48.64 In6 N0.64 O37.3333
Title of publication	Pore Space Partition and Charge Separation in Cage-within-Cage Indium-Organic Frameworks with High CO2 Uptake
Authors of publication	Shou-Tian Zheng; Julia T. Bu; Yufei Li; Tao Wu; Fan Zuo; Pingyun Feng; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17062 - 17064
a	25.8066 ± 0.0011 Å
b	25.8066 ± 0.0011 Å
c	25.8066 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	17186.7 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.1179
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for significantly intense reflections	0.2765
Weighted residual factors for all reflections included in the refinement	0.315
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
178782 (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 4/10/36.	4103606.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103606.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103606.cif
26639	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103606 via cif-deposit CGI script.	4103606.cif