Crystallography Open Database

Information card for entry 4337106

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Structure parameters

Common name	Moris-334 (Sara)
Formula	C44 H80 N12 U
Calculated formula	C44 H80 N12 U
SMILES	[U](N=C1N(C=CN1C(C)(C)C)C(C)(C)C)(N=C1N(C=CN1C(C)(C)C)C(C)(C)C)(N=C1N(C=CN1C(C)(C)C)C(C)(C)C)N=C1N(C=CN1C(C)(C)C)C(C)(C)C
Title of publication	Uranium(IV) Imidazolin-2-iminato Complexes: A New Class of Actinide Complexes.
Authors of publication	Karmel, Isabell S. R.; Botoshansky, Mark; Tamm, Matthias; Eisen, Moris S.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	694 - 696
a	11.8477 ± 0.0009 Å
b	20.4016 ± 0.0017 Å
c	20.8037 ± 0.0016 Å
α	90°
β	92.457 ± 0.003°
γ	90°
Cell volume	5023.9 ± 0.7 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	4
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	0.0603
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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.	4337106.cif
179474	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 4/33/71.	4337106.cif
106160	2014-03-15	cif/ Adding structures of 4337106 via cif-deposit CGI script.	4337106.cif