Crystallography Open Database

Information card for entry 7704977

Preview

Coordinates	7704977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H55 B2 F15 N O2 P
Calculated formula	C71 H55 B2 F15 N O2 P
Title of publication	Frustrated Lewis pairs with thermally activated delayed fluorescence properties: activation of formaldehyde.
Authors of publication	Lee, Young Hoon; Nam, Eun Bi; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	38
Pages of publication	13198 - 13201
a	14.2411 ± 0.0003 Å
b	23.1001 ± 0.0005 Å
c	20.8633 ± 0.0004 Å
α	90°
β	100.671 ± 0.0011°
γ	90°
Cell volume	6744.7 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2237
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
258862 (current)	2020-11-06	cif/ Updating files of 7704977 Original log message: Adding full bibliography for 7704977.cif.	7704977.cif
254721	2020-08-01	cif/ Adding structures of 7704977 via cif-deposit CGI script.	7704977.cif