Crystallography Open Database

Information card for entry 7004989

Preview

Coordinates	7004989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H112 N4 Na4 O2 P4 Si8
Calculated formula	C56 H112 N4 Na4 O2 P4 Si8
SMILES	C([P-]c1ccccn1)([Si](C)(C)C)[Si](C)(C)C.[P-](C([Si](C)(C)C)[Si](C)(C)C)c1ncccc1.[Na][O](CC)CC.[Na+]
Title of publication	Alkali metal complexes of sterically demanding amino-functionalized secondary phosphanide ligands.
Authors of publication	Izod, Keith; Stewart, John C.; Clegg, William; Harrington, Ross W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	2
Pages of publication	257 - 264
a	11.1503 ± 0.0015 Å
b	13.5201 ± 0.0018 Å
c	15.406 ± 0.002 Å
α	109.582 ± 0.002°
β	97.502 ± 0.002°
γ	110.175 ± 0.002°
Cell volume	1972.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.257
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179753 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/49.	7004989.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004989.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004989.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004989.cif