Crystallography Open Database

Information card for entry 4001939

4001938 << 4001939 >> 4001940

Preview

Coordinates	4001939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 In N3 O9.5
Calculated formula	C7 H7 In N3 O9.5
Title of publication	Direct Observation of Two Types of Proton Conduction Tunnels Coexisting in a New Porous Indium‒Organic Framework
Authors of publication	Zhao, Xiang; Mao, Chengyu; Bu, Xianhui; Feng, Pingyun
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	8
Pages of publication	2492
a	17.2988 ± 0.0015 Å
b	18.119 ± 0.0016 Å
c	31.676 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9928.4 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4001939.cif
112701	2014-05-04	cif/ Updating files of 4001939 Original log message: Adding full bibliography for 4001939.cif.	4001939.cif
109130	2014-04-09	cif/ Adding structures of 4001939 via cif-deposit CGI script.	4001939.cif