Crystallography Open Database

Information card for entry 4320019

4320018 << 4320019 >> 4320020

Preview

Coordinates	4320019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 F2 N8 O14 Zn
Calculated formula	C32 H40 F2 N8 O14 Zn
SMILES	N(=O)(=O)[O-].[Zn]12([OH2])([OH2])(OC(=O)C3=CN(CC)c4cc(N5CC[NH2+]CC5)c(cc4C3=[O]1)F)OC(=O)C1=CN(CC)c3cc(N4CC[NH2+]CC4)c(cc3C1=[O]2)F.N(=O)(=O)[O-]
Title of publication	2D Molecular Square Grid with Strong Blue Fluorescent Emission: A Complex of Norfloxacin with Zinc(II)
Authors of publication	Zhen-Feng Chen; Ren-Gen Xiong; Jing Zhang; Xue-Tai Chen; Zi-Ling Xue; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4075 - 4077
a	8.98 ± 0.0018 Å
b	9.014 ± 0.0018 Å
c	12.726 ± 0.003 Å
α	69.37 ± 0.03°
β	72.05 ± 0.03°
γ	68.87 ± 0.03°
Cell volume	879.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	1.436
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
179303 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/00.	4320019.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320019.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320019.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4320019.cif
16852	2011-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4320019 via cif-deposit CGI script.	4320019.cif