Crystallography Open Database

Information card for entry 4085653

Preview

Coordinates	4085653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 N2 Pb
Calculated formula	C32 H48 N2 Pb
SMILES	[Pb]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C(C)C
Title of publication	β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations
Authors of publication	Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2515
a	13.2171 ± 0.0002 Å
b	16.4002 ± 0.0003 Å
c	16.7854 ± 0.0003 Å
α	90°
β	119.935 ± 0.001°
γ	90°
Cell volume	3153.06 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.044
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178745 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56.	4085653.cif
140233	2015-07-05	cif/ Updating files of 4085653, 4085654, 4085655, 4085656, 4085657 Original log message: Adding full bibliography for 4085653--4085657.cif.	4085653.cif
134579	2015-04-02	cif/ Adding structures of 4085653, 4085654, 4085655, 4085656, 4085657 via cif-deposit CGI script.	4085653.cif