Crystallography Open Database

Information card for entry 7039666

Preview

Coordinates	7039666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H74 Cu2 F12 N8 O P2
Calculated formula	C58 H74 Cu2 F12 N8 O P2
Title of publication	Emission properties and Cu(i)-Cu(i) interaction in 2-coordinate dicopper(i)-bis(N-heterocyclic)carbene complexes.
Authors of publication	Nishikawa, Michihiro; Sano, Taichi; Washimi, Masaya; Takao, Koichiro; Tsubomura, Taro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	30
Pages of publication	12127 - 12136
a	14.77 ± 0.006 Å
b	14.987 ± 0.006 Å
c	15.349 ± 0.006 Å
α	98.795 ± 0.003°
β	107.088 ± 0.004°
γ	100.076 ± 0.003°
Cell volume	3121 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185322 (current)	2016-08-07	cif/ Updating files of 7039663, 7039664, 7039665, 7039666 Original log message: Adding full bibliography for 7039663--7039666.cif.	7039666.cif
183923	2016-06-25	cif/ Adding structures of 7039663, 7039664, 7039665, 7039666 via cif-deposit CGI script.	7039666.cif