Crystallography Open Database

Information card for entry 4330227

Preview

Coordinates	4330227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H51 N2 P Pb
Calculated formula	C41 H51 N2 P Pb
SMILES	[Pb]1(P(c2ccccc2)c2ccccc2)[N](=C(C=C(N1c1c(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	15.9697 ± 0.0005 Å
b	18.3168 ± 0.0006 Å
c	25.8355 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7557.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I 2 c b
Hall space group symbol	I -2a 2
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 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.	4330227.cif
79478	2013-04-05	cif/ Adding structures of 4330227 via cif-deposit CGI script.	4330227.cif