hexaaqua-zinc(II) bis(trifluoromethanesulfonate)

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ID: CCDC 1878807
hexaaquazinc(2+), salt with trifluoromethanesulfonic acid (1:2); hexaaquazinc(2+) bis(triflate); hexaaquazinc(2+) triflate
hexaaquazinc(II) trifluormethanesulfonate
C2 H12 F6 O12 S2 Zn
Setting space group name to HM:P -3 m 1
Setting space group name to Hall:-P 3 2"
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ot280
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#######################################################################
#
# This file contains crystal structure data downloaded from the
# Cambridge Structural Database (CSD) hosted by the Cambridge
# Crystallographic Data Centre (CCDC).
#
# Full information about CCDC data access policies and citation
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1
#
# Audit and citation data items may have been added by the CCDC.
# Please retain this information to preserve the provenance of
# this file and to allow appropriate attribution of the data.
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#######################################################################
ID: CCDC 1878807
hexaaquazinc(2+), salt with trifluoromethanesulfonic acid (1:2); hexaaquazinc(2+) bis(triflate); hexaaquazinc(2+) triflate
hexaaquazinc(II) trifluormethanesulfonate
C2 H12 F6 O12 S2 Zn
ot280
Time for openFile(https://crystals.symotter.org/viewer/zinc-triflate/zinc-triflate.cif): 1139 ms
reading 1274 atoms
ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true
1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.
model 1.1 alternative locations: 12
Default Van der Waals type for model set to Babel
1274 atoms created
ModelSet: autobonding; use autobond=false to not generate bonds automatically
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Time for creating model: 241 ms
#######################################################################
#
# This file contains crystal structure data downloaded from the
# Cambridge Structural Database (CSD) hosted by the Cambridge
# Crystallographic Data Centre (CCDC).
#
# Full information about CCDC data access policies and citation
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1
#
# Audit and citation data items may have been added by the CCDC.
# Please retain this information to preserve the provenance of
# this file and to allow appropriate attribution of the data.
#
#######################################################################
ID: CCDC 1878807
hexaaquazinc(2+), salt with trifluoromethanesulfonic acid (1:2); hexaaquazinc(2+) bis(triflate); hexaaquazinc(2+) triflate
hexaaquazinc(II) trifluormethanesulfonate
C2 H12 F6 O12 S2 Zn
ot280
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1058 atoms deleted
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This is the structure of hexaaqua-zinc(II) bis(trifluoromethanesulfonate), prepared accidentally while investigating the preparation of zinc/imidazole ionic cocrystals. It was submitted as a CSD Communication: Dean H. Johnston, Elizabeth L. Tinapple, CCDC 1878807: Experimental Crystal Structure Determination, 2018, DOI: 10.5517/ccdc.csd.cc2121pw.