Crystallography Open Database

Information card for entry 7021448

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Structure parameters

Common name	18-Crown-6-potassium triphenyl-silicon
Formula	C30 H39 K O6 Si
Calculated formula	C30 H39 K O6 Si
SMILES	C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456.c1(ccccc1)[Si-](c1ccccc1)c1ccccc1
Title of publication	On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.
Authors of publication	Kleeberg, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	23
Pages of publication	8276 - 8287
a	18.3527 ± 0.0008 Å
b	15.264 ± 0.0008 Å
c	10.4474 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2926.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.313
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7021448.cif
179919	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14.	7021448.cif
86945	2013-07-12	cif/ Adding structures of 7021446, 7021447, 7021448, 7021449, 7021450, 7021451 via cif-deposit CGI script.	7021448.cif