Crystallography Open Database

Information card for entry 4073128

Preview

Coordinates	4073128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H45 Lu N2 Si2
Calculated formula	C31 H45 Lu N2 Si2
SMILES	[Lu]12345(=C6N(c7c(cc(cc7C)C)C)C=CN6CC[c]63[cH]4[cH]5[c]32[c]16cccc3)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Synthesis of the First Rare Earth Metal Bis(alkyl)s Bearing an Indenyl Functionalized N-Heterocyclic Carbene
Authors of publication	Wang, Baoli; Wang, Dun; Cui, Dongmei; Gao, Wei; Tang, Tao; Chen, Xuesi; Jing, Xiabin
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	13
Pages of publication	3167
a	10.5025 ± 0.0006 Å
b	23.2946 ± 0.0013 Å
c	13.8088 ± 0.0007 Å
α	90°
β	106.838 ± 0.001°
γ	90°
Cell volume	3233.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	187 ± 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	0.0336
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0618
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
178620 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/31.	4073128.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073128.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073128.cif
46180	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073128 via cif-deposit CGI script.	4073128.cif