Crystallography Open Database

Information card for entry 4341839

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Structure parameters

Formula	C98 H115 N4 O5 U
Calculated formula	C98 H115 N4 O5 U
Title of publication	A Series of Uranium (IV, V, VI) Tritylimido Complexes, Their Molecular and Electronic Structures and Reactivity with CO2.
Authors of publication	Schmidt, Anna-Corina; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141126065822007
a	14.5822 ± 0.0018 Å
b	15.4795 ± 0.0019 Å
c	20.177 ± 0.002 Å
α	75.13 ± 0.003°
β	76.363 ± 0.003°
γ	78.222 ± 0.003°
Cell volume	4227.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341839.cif
179521	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341839.cif
128245	2014-12-06	cif/ Adding structures of 4341839 via cif-deposit CGI script.	4341839.cif