Crystallography Open Database

Information card for entry 4300530

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Coordinates	4300530.cif
External links	PubChem

Structure parameters

Common name	Thulium-tris-(dipyridylamide)
Formula	C60 H48 N18 Tm2
Calculated formula	C60 H48 N18 Tm2
SMILES	c1(ccccn1)N1[Tm]2345(N(c6cccc[n]26)c2ncccc2)([n]2c1cccc2)[N]1(c2[n](cccc2)[Tm]2671(N(c1cccc[n]21)c1ccccn1)(N(c1[n]6cccc1)c1ncccc1)[N]3(c1[n]4cccc1)c1[n]7cccc1)c1[n]5cccc1
Title of publication	Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,
Authors of publication	K. Muller-Buschbaum, Catharina C. Quitmann
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	10.7385 ± 0.0008 Å
b	15.142 ± 0.0013 Å
c	16.1781 ± 0.0014 Å
α	90°
β	100.736 ± 0.007°
γ	90°
Cell volume	2584.6 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4300530.cif
179043	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/05.	4300530.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300530.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' ) &	4300530.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4300530.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4300530.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4300530.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300530.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4300530.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4300530.cif