Crystallography Open Database

Information card for entry 7005992

Preview

Coordinates	7005992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H64 N2 O Pb
Calculated formula	C44 H64 N2 O Pb
SMILES	[Pb]1(Oc2c(cc(cc2C(C)(C)C)C)C(C)(C)C)[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	The synthesis of monomeric terminal lead aryloxides: dependence on reagents and conditions.
Authors of publication	Fulton, J. Robin; Hitchcock, Peter B.; Johnstone, Nick C.; Tam, Eric C. Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	31
Pages of publication	3360 - 3362
a	12.3312 ± 0.0002 Å
b	12.5867 ± 0.0002 Å
c	15.1185 ± 0.0003 Å
α	105.315 ± 0.001°
β	100.911 ± 0.001°
γ	108.965 ± 0.001°
Cell volume	2040.66 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0513
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
179763 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/59.	7005992.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005992.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005992.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005992.cif