Crystallography Open Database

Information card for entry 2012409

2012408 << 2012409 >> 2012410

Preview

Coordinates	2012409.cif
Original IUCr paper	HTML

Structure parameters

Formula	C36 H52 Cl2 N2 O4 U2
Calculated formula	C36 H52 Cl2 N2 O4 U2
SMILES	[U]1(Cl)([O](CC)CC)([c]23C)([c]24C)([c]32C)([c]23C)([c]34c2[n]1cccc2)(O1)O[U]12(Cl)([O](CC)CC)([c]13C)([c]14C)([c]31C)([c]13C)[c]34c1[n]2cccc1
Title of publication	A dinuclear uranium(IV) complex of the chelating ligand 1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadiene
Authors of publication	Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	1
Pages of publication	m8 - m9
a	11.6695 ± 0.0008 Å
b	18.2129 ± 0.0012 Å
c	19.194 ± 0.0013 Å
α	90°
β	106.42 ± 0.004°
γ	90°
Cell volume	3913 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.29
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.184
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.