Crystallography Open Database

Information card for entry 4118368

Preview

Coordinates	4118368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C252 H0 In6 N48 O96 Zn8
Calculated formula	C252 In6 N48 O96 Zn8
Title of publication	Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters
Authors of publication	Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	11936 - 11939
a	30.7159 ± 0.0006 Å
b	30.7159 ± 0.0006 Å
c	30.7159 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	28979.4 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.119
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2456
Weighted residual factors for all reflections included in the refinement	0.2752
Goodness-of-fit parameter for all reflections included in the refinement	1.189
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
178954 (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 4/11/83.	4118368.cif
75893	2013-03-13	cif/ Adding structures of 4118368 via cif-deposit CGI script.	4118368.cif