Crystallography Open Database

Information card for entry 4117667

Preview

Coordinates	4117667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H58 In2 Mg2 N0 O26
Calculated formula	C72 H40 In2 Mg2 O26
Title of publication	Development of Composite Inorganic Building Blocks for MOFs
Authors of publication	Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4517 - 4520
a	32.2214 ± 0.0003 Å
b	32.2214 ± 0.0003 Å
c	92.442 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	83117 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
178947 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/76.	4117667.cif
74788	2013-03-03	cif/ Adding structures of 4117667 via cif-deposit CGI script.	4117667.cif