Crystallography Open Database

Information card for entry 7112126

Preview

Coordinates	7112126.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
Duplicate of	7112125
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.	7112126.cif
112050	2014-04-29	cod/ (saulius@koala.ibt.lt) Marking 392 files as duplicates of the COD entries (with smaller COD IDs) that had identical title, cell constants and coordinates: mysql -u cod_reader cod -e ' select d1.file, d2.file from data as d1 join data as d2 on ( d1.title = d2.title or d1.title = substr(d2.title,1,length(d2.title)-1) or d2.title = substr(d1.title,1,length(d1.title)-1)) and d1.file < d2.file and d1.a = d2.a and d1.b = d2.b and d1.c = d2.c and d1.vol = d2.vol and (d1.calcformula = d2.calcformula or d1.calcformula is null or d2.calcformula is null) and d1.duplicateof is null and d2.duplicateof is null and d1.optimal is null and d2.optimal is null order by d1.file, d2.file' -NB \ \| xargs -i bash -c ' F1=$(echo {} \| awk "{print \$1}" \| codid2file); F2=$(echo {} \| awk "{print \$2}"\| codid2file); true echo === {} ===; if diff -q <(cif2ref $F1) <(cif2ref $F2) >& /dev/null; then CODID=$(echo {} \| awk "{print \$1}"); echo $CODID is the main entry for $F2; echo "_cod_duplicate_entry $CODID" >> $F2; fi' The localhost `cod` database's table `data` was loaded with the last night's COD `data` dump.	7112126.cif
105901	2014-03-14	cif/ Adding structures of 7112125, 7112126 via cif-deposit CGI script.	7112126.cif