Crystallography Open Database

Information card for entry 1519931

1519930 << 1519931 >> 1519932

Preview

Coordinates	1519931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H134 N2 Sn2
Calculated formula	C89 H134 N2 Sn2
SMILES	[Sn]([SnH2]c1c(c2c(C(C)C)cc(C(C)C)cc2C(C)C)cccc1c1c(cc(C(C)C)cc1C(C)C)C(C)C)([n]1ccc(N(C)C)cc1)c1c(c2c(cc(cc2C(C)C)C(C)C)C(C)C)cccc1c1c(C(C)C)cc(cc1C(C)C)C(C)C.C(CC)CC.CCCCC.CCCCC
Title of publication	A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination
Authors of publication	Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	8
Pages of publication	4737
a	12.7122 ± 0.0005 Å
b	15.3521 ± 0.0006 Å
c	22.5773 ± 0.0009 Å
α	84.881 ± 0.002°
β	89.932 ± 0.002°
γ	82.556 ± 0.002°
Cell volume	4351.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0672
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
153088 (current)	2015-08-08	cif/ Updating files of 1519930, 1519931, 1519932 Original log message: Adding full bibliography for 1519930--1519932.cif.	1519931.cif
137271	2015-05-23	cif/ Adding structures of 1519930, 1519931, 1519932 via cif-deposit CGI script.	1519931.cif