Crystallography Open Database

Information card for entry 4313577

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Structure parameters

Formula	C41 H83 K N6 Nd O2 Si2
Calculated formula	C41 H83 K N6 Nd O2 Si2
SMILES	[Nd]123([O]([K]4([O]1C(C)(C)C)[N](C)(C)CC[N]4(C)C)C(C)(C)C)(N([Si](C)(C)C(C)(C)C)c1[n]2c(ccc1)C)N([Si](C)(C)C(C)(C)C)c1[n]3c(ccc1)C.CCCCCC
Title of publication	Cerium(III) and Neodymium(III) Amides Derived from a Chelating 2-Pyridyl Amido Ligand
Authors of publication	Steven C. F. Kui; Hung-Wing Li; Hung Kay Lee
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	2824 - 2826
a	10.7554 ± 0.0016 Å
b	13.159 ± 0.002 Å
c	20.855 ± 0.003 Å
α	79.691 ± 0.003°
β	82.952 ± 0.003°
γ	67.174 ± 0.003°
Cell volume	2671.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	0.912
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
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4313577.cif
179196	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 4/31/35.	4313577.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313577.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313577.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' ) &	4313577.cif
6646	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313577 via cif-deposit CGI script.	4313577.cif