Crystallography Open Database

Information card for entry 7110588

Preview

Coordinates	7110588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H64 N4 Si3 U
Calculated formula	C33 H64 N4 Si3 U
SMILES	[U]123(N([Si](C)(C)C(C)(C)C)CC[N]1(CCN3[Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C)C#Cc1ccc(cc1)C
Title of publication	Structure and reactions of a metallacyclic complex containing a remarkably long uranium‒carbon bond
Authors of publication	Boaretto, Rita; Roussel, Paul; Kingsley, Andrew J.; Munslow, Ian J.; Sanders, Christopher J.; Alcock, Nathaniel W.; Scott, Peter
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	17
Pages of publication	1701
a	17.3244 ± 0.001 Å
b	12.7945 ± 0.001 Å
c	18.6257 ± 0.0015 Å
α	90°
β	97.709 ± 0.001°
γ	90°
Cell volume	4091.2 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
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	0.0691
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
180219 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/05.	7110588.cif
95455	2014-01-28	cif/ Adding structures of 7110587, 7110588 via cif-deposit CGI script.	7110588.cif