Crystallography Open Database

Information card for entry 4330226

Preview

Coordinates	4330226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H59 N2 P Si2 Sn
Calculated formula	C35 H59 N2 P Si2 Sn
SMILES	[Sn]1(P([Si](C)(C)C)[Si](C)(C)C)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Group 14 Metal Terminal Phosphides: Correlating Structure with \|JMP\|
Authors of publication	Eric C. Y. Tam; Nicola A. Maynard; David C. Apperley; J. David Smith; Martyn P. Coles; J. Robin Fulton
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9403 - 9415
a	12.1569 ± 0.0002 Å
b	15.7065 ± 0.0002 Å
c	23.405 ± 0.0004 Å
α	90°
β	119.547 ± 0.001°
γ	90°
Cell volume	3887.82 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation probe	x-ray
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
179405 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/02.	4330226.cif
79477	2013-04-05	cif/ Adding structures of 4330226 via cif-deposit CGI script.	4330226.cif