Crystallography Open Database

Information card for entry 7026850

Preview

Coordinates	7026850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 N2 Pb S2
Calculated formula	C8 H20 N2 Pb S2
SMILES	[Pb]12(SCC[N]1(C)C)SCC[N]2(C)C
Title of publication	A new stable monomeric lead(ii) dithiolate Pb(SCH(2)CH(2)NMe(2))(2): an interplay between a dynamic "flip-flop" process in solution and conformational isomerism in the solid-state.
Authors of publication	Khrustalev, Victor N.; Aysin, Rinat R.; Borisova, Irina V.; Peregudov, Alexander S.; Leites, Larissa A.; Zemlyansky, Nikolai N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	40
Pages of publication	9480 - 9483
a	10.3938 ± 0.0005 Å
b	10.7759 ± 0.0005 Å
c	11.4619 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1283.76 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0379
Goodness-of-fit parameter for all reflections included in the refinement	0.936
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
179974 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/68.	7026850.cif
93617	2014-01-13	cif/ Adding structures of 7026849, 7026850, 7026851 via cif-deposit CGI script.	7026850.cif