Crystallography Open Database

Information card for entry 7700469

Preview

Coordinates	7700469.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(XbicH2)SiPh][HCl2] . 3 CHCl3
Chemical name	(9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butyl-2,3-dioxybenzaldiminium)-(phenyl)silicon(IV) bichloride tri-chloroform solvate
Formula	C54 H63 Cl11 N2 O5 Si
Calculated formula	C53 H62 Cl8 N2 O5 Si
Title of publication	Mono- and bimetallic pentacoordinate silicon complexes of a chelating bis(catecholimine) ligand.
Authors of publication	Do, Thomas H.; Brown, Seth N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	30
Pages of publication	11565 - 11574
a	16.3173 ± 0.0008 Å
b	17.8374 ± 0.0008 Å
c	21.3223 ± 0.0011 Å
α	89.6599 ± 0.0017°
β	81.8824 ± 0.0017°
γ	84.0998 ± 0.0016°
Cell volume	6111.1 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
224340 (current)	2019-11-08	cif/ Updating files of 7700466, 7700467, 7700468, 7700469, 7700470 Original log message: Adding full bibliography for 7700466--7700470.cif.	7700469.cif
216780	2019-07-06	cif/ Adding structures of 7700466, 7700467, 7700468, 7700469, 7700470 via cif-deposit CGI script.	7700469.cif