Crystallography Open Database

Information card for entry 7237700

Preview

Coordinates	7237700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 B0.5 Cu0.5 N P
Calculated formula	C39 H32 B0.5 Cu0.5 N P
Title of publication	Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds
Authors of publication	Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	13
Pages of publication	3772
a	11.749 ± 0.0004 Å
b	16.2954 ± 0.0006 Å
c	17.8418 ± 0.0006 Å
α	66.5173 ± 0.0019°
β	87.826 ± 0.002°
γ	88.676 ± 0.002°
Cell volume	3130.62 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1032
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238538 (current)	2019-11-24	cif/ Adding structures of 7237697, 7237698, 7237699, 7237700, 7237701, 7237702, 7237703 via cif-deposit CGI script.	7237700.cif