Crystallography Open Database

Information card for entry 4333267

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Coordinates	4333267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 F6 N2 U
Calculated formula	C36 H40 F6 N2 U
SMILES	[c]12([c]3([c]4([c]([c]51C)([U]23451678([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)(N=C(C)c1cc(F)c(F)c(F)c1)N=C(C)c1cc(F)c(F)c(F)c1)C)C)C)C
Title of publication	Systematic Studies of Early Actinide Complexes: Uranium(IV) Fluoroketimides
Authors of publication	Schelter, Eric J.; Yang, Ping; Scott, Brian L.; Thompson, J. D.; Martin, Richard L.; Hay, P. Jeffrey; Morris, David E.; Kiplinger, Jaqueline L.
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7477 - 7488
a	12.9529 ± 0.0006 Å
b	13.8105 ± 0.0006 Å
c	18.5471 ± 0.0008 Å
α	90°
β	99.781 ± 0.001°
γ	90°
Cell volume	3269.6 ± 0.3 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	5
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	0.0159
Residual factor for significantly intense reflections	0.0149
Weighted residual factors for significantly intense reflections	0.0373
Weighted residual factors for all reflections included in the refinement	0.0378
Goodness-of-fit parameter for all reflections included in the refinement	0.873
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
179435 (current)	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 4/33/32.	4333267.cif
98890	2014-01-30	cif/ Adding structures of 4333263, 4333264, 4333265, 4333266, 4333267, 4333268 via cif-deposit CGI script.	4333267.cif