Crystallography Open Database

Information card for entry 4313640

Preview

Coordinates	4313640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 B2 I N8 U
Calculated formula	C26 H44 B2 I N8 U
SMILES	[U]12(I)([n]3n(c(cc3C(C)(C)C)C)[BH2]n3[n]1c(cc3C)C)[n]1n(c(cc1C)C)[BH2]n1[n]2c(cc1C)C(C)(C)C
Title of publication	Synthesis and Structural Characterization of Unprecedented Bis-Asymmetric Heteroscorpionate U(III) Complexes: [U{κ3-H2B(pztBu,Me)(pzMe,tBu)}2I] and [U{κ3-H2B(pztBu,Me)(pzMe2)}2I]
Authors of publication	Leonor Maria; Ângela Domingos; Isabel Santos
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3323 - 3330
a	17.762 ± 0.002 Å
b	10.2865 ± 0.001 Å
c	19.579 ± 0.003 Å
α	90°
β	110.81 ± 0.01°
γ	90°
Cell volume	3343.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179198 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/36.	4313640.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313640.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313640.cif
6709	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313640 via cif-deposit CGI script.	4313640.cif