Crystallography Open Database

Information card for entry 7116330

Preview

Coordinates	7116330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H136 N44 O4 Zn10
Calculated formula	C96 H129.5 N44 O4 Zn10
Title of publication	Zn10(Im)20^.^4DBF: an unprecedented 10-nodal zeolitic topology with a 10-MR channel and 10 crystallographically independent Zn atoms
Authors of publication	Qi Shi; Xiaozhen Kang; Fa-Nian Shi; Jinxiang Dong
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	1131
a	9.5161 ± 0.0002 Å
b	30.1575 ± 0.0005 Å
c	45.9367 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	13183 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
180277 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/63.	7116330.cif
129554	2015-01-12	cif/ Adding structures of 7116330 via cif-deposit CGI script.	7116330.cif