Crystallography Open Database

Information card for entry 4319691

4319690 << 4319691 >> 4319692

Preview

Coordinates	4319691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H28 F N O2 Si
Calculated formula	C17 H28 F N O2 Si
Title of publication	Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution
Authors of publication	Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2520 - 2527
a	9.6112 ± 0.0019 Å
b	16.524 ± 0.003 Å
c	22.098 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3509.5 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179276 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/96.	4319691.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319691.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319691.cif
16492	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319691 via cif-deposit CGI script.	4319691.cif