Crystallography Open Database

Information card for entry 4112308

Preview

Coordinates	4112308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Mn1.5 N3 O16.5 Yb
Calculated formula	C21 H15 Mn1.5 N3 O16.5 Yb
Title of publication	Design and Synthesis of 3d-4f Metal-Based Zeolite-type Materials with a 3D Nanotubular Structure Encapsulated "Water" Pipe
Authors of publication	Bin Zhao; Peng Cheng; Xiaoyan Chen; Cai Cheng; Wei Shi; Daizheng Liao; Shiping Yan; Zonghui Jiang
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	3012 - 3013
a	15.44 ± 0.005 Å
b	15.44 ± 0.005 Å
c	16.254 ± 0.012 Å
α	90°
β	90°
γ	120°
Cell volume	3356 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178894 (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 4/11/23.	4112308.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112308.cif
64692	2012-08-23	cif/ Adding structures of 4112308 via cif-deposit CGI script.	4112308.cif