Crystallography Open Database

Information card for entry 4334797

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Structure parameters

Formula	C48 H58 Dy N7 O12
Calculated formula	C48 H58 Dy N7 O12
SMILES	[Dy]1234([O]=C(C(=O)O1)Nc1c(cccc1C)C)([O]=C(C(=O)O2)Nc1c(cccc1C)C)([O]=C(C(=O)O3)Nc1c(cccc1C)C)[O]=C(C(=O)O4)Nc1c(cccc1C)C.[N+](C)(C)(C)C.N#CC.N#CC
Title of publication	Slow Magnetic Relaxation in a Hydrogen-Bonded 2D Array of Mononuclear Dysprosium(III) Oxamates
Authors of publication	Francisco R. Fortea-Pérez; Julia Vallejo; Miguel Julve; Francesc Lloret; Giovanni De Munno; Donatella Armentano; Emilio Pardo
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4777 - 4779
a	18.893 ± 0.0011 Å
b	12.4109 ± 0.0007 Å
c	23.7637 ± 0.0014 Å
α	90°
β	106.903 ± 0.003°
γ	90°
Cell volume	5331.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0378
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334797.cif
179450	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/47.	4334797.cif
100670	2014-02-06	cif/ Adding structures of 4334797 via cif-deposit CGI script.	4334797.cif