Crystallography Open Database

Information card for entry 7110556

Preview

Coordinates	7110556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H66 N2 Pb
Calculated formula	C41 H66 N2 Pb
SMILES	[Pb](=C1N(C(C)=C(N1C(C)C)C)C(C)C)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	A zwitterionic carbene‒plumbylene adduct
Authors of publication	Stabenow, Frank; Saak, Wolfgang; Weidenbruch, Manfred
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	12
Pages of publication	1131
a	10.5688 ± 0.0007 Å
b	11.082 ± 0.0006 Å
c	17.918 ± 0.0008 Å
α	72.784 ± 0.006°
β	88.671 ± 0.007°
γ	85.959 ± 0.008°
Cell volume	1999.6 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
180219 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/05.	7110556.cif
95390	2014-01-28	cif/ Adding structures of 7110556 via cif-deposit CGI script.	7110556.cif