Crystallography Open Database

Information card for entry 7237703

Preview

Coordinates	7237703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H88 Cl2 Cu2 F12 N4 P6
Calculated formula	C109 H88 Cl2 Cu2 F12 N4 P6
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	27.3393 ± 0.0013 Å
b	25.0872 ± 0.0011 Å
c	17.9939 ± 0.0009 Å
α	90°
β	128.556 ± 0.001°
γ	90°
Cell volume	9651 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1
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
238538 (current)	2019-11-24	cif/ Adding structures of 7237697, 7237698, 7237699, 7237700, 7237701, 7237702, 7237703 via cif-deposit CGI script.	7237703.cif