Crystallography Open Database

Information card for entry 4118365

Preview

Coordinates	4118365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C298 H284 In18 N14 Ni14 O224
Calculated formula	C270 In18 Ni14 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	49.59 ± 0.0003 Å
b	49.59 ± 0.0003 Å
c	9.9168 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	21120 ± 2 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	0.2947
Residual factor for significantly intense reflections	0.1427
Weighted residual factors for significantly intense reflections	0.3323
Weighted residual factors for all reflections included in the refinement	0.3656
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	4118365.cif
75890	2013-03-13	cif/ Adding structures of 4118365 via cif-deposit CGI script.	4118365.cif