Crystallography Open Database

Information card for entry 4109847

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Structure parameters

Formula	C54 H88 Cl10 N20 U2 Zn
Calculated formula	C54 H88 Cl10 N20 U2 Zn
Title of publication	Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer
Authors of publication	Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10672 - 10674
a	11.4596 ± 0.0014 Å
b	12.2197 ± 0.0015 Å
c	14.9748 ± 0.0018 Å
α	72.156 ± 0.002°
β	76.694 ± 0.002°
γ	73.785 ± 0.002°
Cell volume	1892.6 ± 0.4 Å³
Cell temperature	165 ± 2 K
Ambient diffraction temperature	165 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4109847.cif
178844	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98.	4109847.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109847.cif
58625	2012-05-29	cif/ Adding structures of 4109847 via cif-deposit CGI script.	4109847.cif