Crystallography Open Database

Information card for entry 7039665

Preview

Coordinates	7039665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H60 Cu2 F12 N8 O6 P2
Calculated formula	C52 H60 Cu2 F12 N8 O6 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	14.085 ± 0.007 Å
b	30.823 ± 0.015 Å
c	15.148 ± 0.008 Å
α	90 ± 0.007°
β	111.751 ± 0.001°
γ	90 ± 0.07°
Cell volume	6108 ± 5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.134
Residual factor for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.3129
Goodness-of-fit parameter for all reflections included in the refinement	1.202
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.	7039665.cif
183923	2016-06-25	cif/ Adding structures of 7039663, 7039664, 7039665, 7039666 via cif-deposit CGI script.	7039665.cif