Crystallography Open Database

Information card for entry 7116404

Preview

Coordinates	7116404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H B N O Zn
Calculated formula	C1.2 H3.6 B1.6 N0.8 O2.8 Zn0.4
Title of publication	Zn(1,3-DAP)[B4O7]: a rare chiral zeolitic framework constructed of four-connected [B4O9] clusters with a single-stranded helical channel
Authors of publication	Chun-Yang Pan; Li-Juan Zhong; Feng-Hua Zhao; Hong-Mei Yang; Jian Zhou
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	753
a	8.67 ± 0.004 Å
b	8.67 ± 0.004 Å
c	12.722 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	956.3 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.016
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0482
Weighted residual factors for all reflections included in the refinement	0.0482
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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
180278 (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 7/11/64.	7116404.cif
129639	2015-01-14	cif/ Adding structures of 7116404 via cif-deposit CGI script.	7116404.cif