Crystallography Open Database

Information card for entry 4118366

Preview

Coordinates	4118366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C298 H284 In18 Mn14 N14 O224
Calculated formula	C270 In18 Mn14 O224
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	49.4418 ± 0.0006 Å
b	49.4418 ± 0.0006 Å
c	10.0065 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	21183.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1609
Residual factor for significantly intense reflections	0.134
Weighted residual factors for significantly intense reflections	0.3697
Weighted residual factors for all reflections included in the refinement	0.3827
Goodness-of-fit parameter for all reflections included in the refinement	1.357
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.	4118366.cif
75891	2013-03-13	cif/ Adding structures of 4118366 via cif-deposit CGI script.	4118366.cif