Crystallography Open Database

Information card for entry 7004990

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Structure parameters

Formula	C42 H92 K2 N8 P2 Si4
Calculated formula	C42 H92 K2 N8 P2 Si4
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	14.603 ± 0.002 Å
b	10.0903 ± 0.0014 Å
c	23.551 ± 0.003 Å
α	90°
β	122.27 ± 0.006°
γ	90°
Cell volume	2934.2 ± 0.7 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	0.0631
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
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.	7004990.cif
179753	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.	7004990.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004990.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004990.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004990.cif