Crystallography Open Database

Information card for entry 4313983

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Coordinates	4313983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 Cu N O5
Calculated formula	C5 H6 Cu N O5
Title of publication	Ferromagnetic Ordering and Metamagnetism in Malonate Bridged 3D Diamond-like and Honeycomb-like Networks: [Cu(mal)(DMF)]n and {[Cu(mal)(0.5pyz)].H2O}n (mal = Malonate Dianion, DMF =N,N-dimethylformamide, pyz = Pyrazine)
Authors of publication	Tian-Fu Liu; Hao-Ling Sun; Song Gao; Shi-Wei Zhang; Tai-Chu Lau
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	4792 - 4794
a	12.5982 ± 0.0018 Å
b	12.5982 ± 0.0018 Å
c	9.195 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1459.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	0.887
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
179207 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/39.	4313983.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313983.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313983.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' ) &	4313983.cif
7055	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313983 via cif-deposit CGI script.	4313983.cif