Crystallography Open Database

Information card for entry 7125063

Preview

Coordinates	7125063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H88 Cl0 Cu4 F12 N2 P10
Calculated formula	C102 H88 Cu4 F12 N2 P10
Title of publication	A solid state highly emissive Cu(i) metallacycle: promotion of cuprophilic interactions at the excited states.
Authors of publication	El Sayed Moussa, M.; Evariste, S.; Wong, H.-L.; Le Bras, L.; Roiland, C.; Le Polles, L.; Le Guennic, B.; Costuas, K.; Yam, V. W.-W.; Lescop, C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	76
Pages of publication	11370 - 11373
a	13.802 ± 0.0017 Å
b	20.7715 ± 0.0013 Å
c	18.8547 ± 0.0011 Å
α	90°
β	100.48 ± 0.002°
γ	90°
Cell volume	5315.3 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0671
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1753
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
234482 (current)	2019-11-23	cif/ Adding structures of 7125063, 7125064, 7125065, 7125066 via cif-deposit CGI script.	7125063.cif