Crystallography Open Database

Information card for entry 4503592

Preview

Coordinates	4503592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N18 Zn3
Calculated formula	C36 H24 N18 Zn3
Title of publication	Assembly of a Chiral Bikitaite Zeolite Metal−Organic Framework Based on the Asymmetrical Tetrahedral Building Blocks
Authors of publication	Shao, Kui-Zhan; Zhao, Ya-Hui; Xing, Yan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	8
Pages of publication	2986
a	14.1071 ± 0.0012 Å
b	9.5108 ± 0.0008 Å
c	15.4049 ± 0.0013 Å
α	90°
β	113.802 ± 0.001°
γ	90°
Cell volume	1891.1 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
179569 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35.	4503592.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503592.cif
41653	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503592 via cif-deposit CGI script.	4503592.cif