Crystallography Open Database

Information card for entry 7003281

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Structure parameters

Formula	C28 H54 K N4 P Si2
Calculated formula	C28 H54 K N4 P Si2
SMILES	[K]12[N](C)(C)CC[N]2(C)CC[N]1(C)C.[P-](C([Si](C)(C)C)[Si](C)(C)C)c4cccc5cccc(N(C)C)c45
Title of publication	Alkali metal complexes of a naphthylamine-substituted phosphanide
Authors of publication	Izod, Keith; Stewart, John C.; Clegg, William; Harrington, Ross W.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	3
Pages of publication	363
a	9.814 ± 0.002 Å
b	16.82 ± 0.004 Å
c	21.7 ± 0.006 Å
α	90°
β	102.932 ± 0.004°
γ	90°
Cell volume	3491.2 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7003281.cif
179736	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 7/00/32.	7003281.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003281.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003281.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003281.cif