Crystallography Open Database

Information card for entry 7112125

Preview

Coordinates	7112125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 B5 N2 O15.5 Zn4
Calculated formula	C6 H24 B5 N2 O15.5 Zn4
Title of publication	A pillared-layered zincoborate with an anionic network containing unprecedented zinc oxide chains
Authors of publication	Pei Zhao; Zhi-En Lin; Qi Wei; Lin Cheng; Guo-Yu Yang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3592
a	26.8486 ± 0.0006 Å
b	9.8558 ± 0.0002 Å
c	17.0824 ± 0.0004 Å
α	90°
β	107.816 ± 0.002°
γ	90°
Cell volume	4303.48 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.229
Weighted residual factors for all reflections included in the refinement	0.2295
Goodness-of-fit parameter for all reflections included in the refinement	1.22
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112125.cif
105901	2014-03-14	cif/ Adding structures of 7112125, 7112126 via cif-deposit CGI script.	7112125.cif