Crystallography Open Database

Information card for entry 4319819

4319818 << 4319819 >> 4319820

Preview

Coordinates	4319819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H42 Cl2 Cu3 N6 O17
Calculated formula	C19 H42 Cl2 Cu3 N6 O17
Title of publication	Synthesis, Characterization, and Magnetic Properties of Self-assembled Compounds Based on Discrete Homotrinuclear Complexes of Cu(II)
Authors of publication	Javier Tercero; Carmen Diaz; Mohamed Salah El Fallah; Joan Ribas; Xavier Solans; Miguel Angel Maestro; José Mahía
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3077 - 3083
a	21.2859 ± 0.0004 Å
b	12.8286 ± 0.0001 Å
c	12.6456 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3453.11 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179278 (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 4/31/98.	4319819.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319819.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319819.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' ) &	4319819.cif
16624	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319819 via cif-deposit CGI script.	4319819.cif