Crystallography Open Database

Information card for entry 1556580

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Structure parameters

Formula	C14 H36 F6 N O6 P Si2
Calculated formula	C14 H36 F6 N O6 P Si2
SMILES	C[Si]1(C)[Si](C)(C)OCCOCCOCCOCCOCCO1.[P](F)(F)(F)(F)(F)[F-].[NH4+]
Title of publication	Hybrid Disila-Crown Ethers as Hosts for Ammonium Cations: The O-Si-Si-O Linkage as an Acceptor for Hydrogen Bonding
Authors of publication	Dankert, F.; Reuter, K.; Donsbach, C.; Von Hanisch, C.
Journal of publication	Inorganics
Year of publication	2018
Journal volume	6
Pages of publication	15
a	10.4542 ± 0.0005 Å
b	12.3869 ± 0.0006 Å
c	10.614 ± 0.0005 Å
α	90°
β	117.912 ± 0.001°
γ	90°
Cell volume	1214.57 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.98 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0207
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1556580.cif
245200	2019-12-16	cif/ Adding structures of 1556580 via cif-deposit CGI script.	1556580.cif