Crystallography Open Database

Information card for entry 4316739

Preview

Coordinates	4316739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H46 B2 Cu2 Fe2 N20 O6
Calculated formula	C33 H46 B2 Cu2 Fe2 N20 O6
Title of publication	Syntheses, Structures, and Magnetic Properties of Two Kinds of Unique Heterometallic Chains with Mixed-Bridging Ligands of Tricyanometalate and Alkoxide
Authors of publication	Ling-Chen Kang; Xin Chen; Hui-Sheng Wang; Yi-Zhi Li; You Song; Jing-Lin Zuo; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9275 - 9282
a	20.1191 ± 0.0018 Å
b	10.0528 ± 0.0009 Å
c	27.0261 ± 0.0017 Å
α	90°
β	116.561 ± 0.005°
γ	90°
Cell volume	4889.2 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179247 (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 4/31/67.	4316739.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316739.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316739.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' ) &	4316739.cif
10245	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316739 via cif-deposit CGI script.	4316739.cif