Crystallography Open Database

Information card for entry 7004987

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Coordinates	7004987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H45 N3 Na P Si2
Calculated formula	C21 H45 N3 Na P Si2
SMILES	P1([Na]2([N](c3ccccc13)(C)C)[N](C)(C)CC[N]2(C)C)C([Si](C)(C)C)[Si](C)(C)C
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	9.8078 ± 0.0015 Å
b	11.4689 ± 0.0016 Å
c	13.6466 ± 0.0009 Å
α	90.93 ± 0.009°
β	103.882 ± 0.009°
γ	103.782 ± 0.015°
Cell volume	1442.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	7004987.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004987.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004987.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004987.cif