Crystallography Open Database

Information card for entry 4068931

Preview

Coordinates	4068931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H46 N2 Pb
Calculated formula	C35 H46 N2 Pb
SMILES	[Pb]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1
Title of publication	Facile Access of Well-Defined Stable Divalent Lead Compounds with Small Organic Substituents
Authors of publication	Jana, Anukul; Sarish, Sankaranarayana Pillai; Roesky, Herbert W.; Schulzke, Carola; Döring, Alexander; John, Michael
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2563
a	10.146 ± 0.002 Å
b	31.93 ± 0.006 Å
c	19.622 ± 0.004 Å
α	90°
β	99.34 ± 0.03°
γ	90°
Cell volume	6273 ± 2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068931.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068931.cif
40049	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068930, 4068931, 4068932, 4068933 via cif-deposit CGI script.	4068931.cif