Crystallography Open Database

Information card for entry 7706667

Preview

Coordinates	7706667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 B2 F4 N2 O4 S Si2
Calculated formula	C54 H36 B2 F4 N2 O4 S Si2
Title of publication	First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.
Authors of publication	Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	11
Pages of publication	3782 - 3785
a	19.6216 ± 0.0001 Å
b	19.6216 ± 0.0001 Å
c	23.8883 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9197.17 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263770 (current)	2021-04-05	cif/ Updating files of 7706663, 7706664, 7706665, 7706666, 7706667 Original log message: Adding full bibliography for 7706663--7706667.cif.	7706667.cif
262178	2021-02-24	cif/ Adding structures of 7706663, 7706664, 7706665, 7706666, 7706667 via cif-deposit CGI script.	7706667.cif