Crystallography Open Database

Information card for entry 7021978

7021977 << 7021978 >> 7021979

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Structure parameters

Formula	C38 H76 Dy4 N4 O26
Calculated formula	C38 H76 Dy4 N4 O26
Title of publication	A single-molecule magnet featuring a parallelogram [Dy4(OCH2-)4] core and two magnetic relaxation processes.
Authors of publication	Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	41
Pages of publication	14813 - 14818
a	14.093 ± 0.003 Å
b	18.89 ± 0.004 Å
c	19.669 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5236.2 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7021978.cif
179924	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/19.	7021978.cif
88906	2013-10-09	cif/ Adding structures of 7021978 via cif-deposit CGI script.	7021978.cif