Crystallography Open Database

Information card for entry 4081055

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Structure parameters

Formula	C45 H87 N3 O Si7 U
Calculated formula	C45 H87 N3 O Si7 U
SMILES	[U](O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands
Authors of publication	Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4214
a	27.4437 ± 0.0007 Å
b	22.2208 ± 0.0006 Å
c	20.8071 ± 0.0006 Å
α	90°
β	95.759 ± 0.002°
γ	90°
Cell volume	12624.6 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4081055.cif
178699	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/10.	4081055.cif
87981	2013-08-27	cif/ Adding structures of 4081052, 4081053, 4081054, 4081055, 4081056, 4081057 via cif-deposit CGI script.	4081055.cif