Crystallography Open Database

Information card for entry 7014098

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Structure parameters

Common name	Ho(HBPz)3(TRP)
Formula	C12.5 H12.5 B Ho0.5 N6 O
Calculated formula	C12.5 H12.5 B Ho0.5 N6 O
Title of publication	Antiferromagnetic coupling between rare earth ions and semiquinones in a series of 1:1 complexes.
Authors of publication	Caneschi, Andrea; Dei, Andrea; Gatteschi, Dante; Poussereau, Sandrine; Sorace, Lorenzo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	7
Pages of publication	1048 - 1055
a	9.416 ± 0.005 Å
b	9.416 ± 0.005 Å
c	32.226 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	2857 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.312
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301847 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure.	7014098.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7014098.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7014098.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014098.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7014098.cif