Crystallography Open Database

Information card for entry 4118370

Preview

Coordinates	4118370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H24 In5 N0 O48 Zn
Calculated formula	C72 H24 In5 O48 Zn
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	22.7219 ± 0.0003 Å
b	22.7219 ± 0.0003 Å
c	17.3033 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	8933.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	4118370.cif
75895	2013-03-13	cif/ Adding structures of 4118370 via cif-deposit CGI script.	4118370.cif