Crystallography Open Database

Information card for entry 4077797

Preview

Coordinates	4077797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 K N2 P Si2
Calculated formula	C25 H42 K N2 P Si2
SMILES	[K]12P(=C([Si](C)(C)C)[Si](C)(C)C)(c3ccccc3C[N]2(C)C)c2ccccc2C[N]1(C)C
Title of publication	First Structurally Authenticated Heavier Alkali Metal Phosphinomethanide
Authors of publication	Clegg, William; Izod, Keith; O'Shaughnessy, Paul
Journal of publication	Organometallics
Year of publication	1999
Journal volume	18
Journal issue	16
Pages of publication	2939
a	9.9165 ± 0.0004 Å
b	17.7521 ± 0.0008 Å
c	15.86 ± 0.0007 Å
α	90°
β	92.514 ± 0.001°
γ	90°
Cell volume	2789.3 ± 0.2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
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	0.0448
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178666 (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 4/07/77.	4077797.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077797.cif
57220	2012-05-17	cif/ Adding structures of 4077797 via cif-deposit CGI script.	4077797.cif