Crystallography Open Database

Information card for entry 4319838

4319837 << 4319838 >> 4319839

Preview

Coordinates	4319838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H25.5 La N3.5 O15
Calculated formula	C13 H25.5 La N3.5 O15
Title of publication	Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars
Authors of publication	Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2953 - 2962
a	12.2964 ± 0.0016 Å
b	10.3191 ± 0.0015 Å
c	17.533 ± 0.004 Å
α	90°
β	98.085 ± 0.01°
γ	90°
Cell volume	2202.6 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4319838.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319838.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319838.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' ) &	4319838.cif
16643	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319838 via cif-deposit CGI script.	4319838.cif