Crystallography Open Database

Information card for entry 4105812

Preview

Coordinates	4105812.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Lu{BN2Ar2C2H2}(CH2SiMe3)2(THF)2
Formula	C42 H74 B Lu N2 O2 Si2
Calculated formula	C42 H74 B Lu N2 O2 Si2
Title of publication	Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues
Authors of publication	Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	3836 - 3839
a	10.3787 ± 0.0003 Å
b	18.8034 ± 0.0004 Å
c	12.3583 ± 0.0003 Å
α	90°
β	102.152 ± 0.002°
γ	90°
Cell volume	2357.74 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for all reflections	0.0733
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4105812.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105812.cif
52582	2012-04-12	../uploads/cif-deposit/cod/cif Adding structures of 4105812 via cif-deposit CGI script.	4105812.cif