Crystallography Open Database

Information card for entry 4117663

Preview

Coordinates	4117663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Co2 In N3 O13.5
Calculated formula	C30 H18 Co2.01 In0.99 N3 O13.5
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	21.9141 ± 0.0009 Å
b	21.9141 ± 0.0009 Å
c	21.9141 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10523.8 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0637
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.288
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117663.cif
74784	2013-03-03	cif/ Adding structures of 4117663 via cif-deposit CGI script.	4117663.cif