Crystallography Open Database

Information card for entry 4079773

Preview

Coordinates	4079773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H70 N3 P Si2
Calculated formula	C50 H70 N3 P Si2
Title of publication	2-Hydro-2-aminophosphasilene with N‒Si‒P π Conjugation
Authors of publication	Cui, Haiyan; Zhang, Jianying; Cui, Chunming
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	1
Pages of publication	1
a	10.149 ± 0.003 Å
b	40.372 ± 0.012 Å
c	12.504 ± 0.004 Å
α	90°
β	111.751 ± 0.003°
γ	90°
Cell volume	4759 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178686 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/97.	4079773.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079773.cif
72652	2013-01-23	cif/ Adding structures of 4079773 via cif-deposit CGI script.	4079773.cif