Crystallography Open Database

Information card for entry 4081885

Preview

Coordinates	4081885.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Integration of K102Duo
Formula	C70 H92 N P Sn
Calculated formula	C70 H92 N P Sn
SMILES	[Sn]1(c2c(P(c3ccccc3)(=[N]1C13CC4CC(CC(C1)C4)C3)c1ccccc1)cccc2)c1c(c2c(C(C)C)cc(C(C)C)cc2C(C)C)cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCCCCC
Title of publication	Stannylene-Based Lewis Pairs
Authors of publication	Freitag, Sarah; Krebs, Kilian M.; Henning, Jens; Hirdler, Janina; Schubert, Hartmut; Wesemann, Lars
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	22
Pages of publication	6785
a	28.7237 ± 0.0014 Å
b	23.8226 ± 0.0011 Å
c	17.6686 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	12090.1 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
190287 (current)	2017-01-09	cif/4: Fixing Z values and formulae	4081885.cif
178707	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 4/08/18.	4081885.cif
91793	2013-12-13	cif/ Adding structures of 4081882, 4081883, 4081884, 4081885 via cif-deposit CGI script.	4081885.cif