Crystallography Open Database

Information card for entry 7112619

Preview

Coordinates	7112619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H19 Ga N2 O6.5
Calculated formula	C30 H19 Ga N2 O6.5
Title of publication	Tunable luminescence from rare 2D Ga(III)/In(III) coordination polymers coexisting with three different conjugated system aromatic ligands
Authors of publication	Xin Ming Wang; Rui Qing Fan; Liang Sheng Qiang; Wei Qi Li; Ping Wang; Hui Jie Zhang; Yu Lin Yang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5023
a	20.3073 ± 0.0013 Å
b	10.8593 ± 0.0004 Å
c	25.026 ± 0.002 Å
α	90°
β	110.129 ± 0.008°
γ	90°
Cell volume	5181.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1214
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.2374
Weighted residual factors for all reflections included in the refinement	0.2698
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7112272
Has coordinates	Yes
Has disorder	No
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.	7112619.cif
124580	2014-10-05	cif/ (saulius@koala.ibt.lt) Marking 35 COD entries as duplicates. The selected entries differ in DOI case (they were admitted to COD due to the former bug in the cod-tools packages), but have identical unit cells and chemical formulae: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select d1.file, d1.doi, d2.file, d2.doi from data as d1 join data as d2 on d1.doi = d2.doi and binary d1.doi != binary d2.doi where d1.a = d2.a and d1.b = d2.b and d1.c = d2.c and d1.file > d2.file and d1.duplicateof is null and d2.duplicateof is null and (d1.formula = d2.formula or d1.calcformula = d2.calcformula)' \ -NB \ \| awk '{print $1, $3}' \ \| xargs -i sh -c ' ID1=$(echo {} \| awk "{print \$1}"); \ ID2=$(echo {} \| awk "{print \$2}"); \ set -x; echo _cod_duplicate_entry $ID2 >> $(codid2file $ID1)'	7112619.cif
111492	2014-04-23	cif/ Adding structures of 7112619, 7112620 via cif-deposit CGI script.	7112619.cif