Crystallography Open Database

Information card for entry 7706666

Preview

Coordinates	7706666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H38 B2 F2 N2 O4 S Si2
Calculated formula	C54.002 H38.002 B2 F2 N2 O4 S1.001 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	13.8634 ± 0.0002 Å
b	13.8634 ± 0.0002 Å
c	23.734 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4561.53 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	7706666.cif
262178	2021-02-24	cif/ Adding structures of 7706663, 7706664, 7706665, 7706666, 7706667 via cif-deposit CGI script.	7706666.cif