Crystallography Open Database

Information card for entry 1508010

Preview

Coordinates	1508010.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 2c
Chemical name	Compound 2c
Formula	C56 H48 F24 N2 O4 Si2
Calculated formula	C56 H48 F24 N2 O4 Si2
SMILES	[Si]12([Si]34(OC(c5c3cccc5)(C(F)(F)F)C(F)(F)F)OC(c3c4cccc3)(C(F)(F)F)C(F)(F)F)(OC(c3c1cccc3)(C(F)(F)F)C(F)(F)F)OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F.[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1
Title of publication	Dianionic species with a bond consisting of two pentacoordinated silicon atoms.
Authors of publication	Kano, Naokazu; Miyake, Hideaki; Sasaki, Keishi; Kawashima, Takayuki; Mizorogi, Naomi; Nagase, Shigeru
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	2
Pages of publication	112 - 116
a	17.113 ± 0.003 Å
b	16.1501 ± 0.0017 Å
c	20.618 ± 0.004 Å
α	90°
β	107.588 ± 0.002°
γ	90°
Cell volume	5432 ± 1.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508010.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508010.cif
62556	2012-07-09	cif/ Adding structures of 1508010 via cif-deposit CGI script.	1508010.cif