Crystallography Open Database

Information card for entry 7039664

Preview

Coordinates	7039664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H46 Cu2 F12 N8 O P2
Calculated formula	C29 H46 Cu2 F12 N8 O P2
SMILES	[Cu]12[Cu](=C3N(C=CN3CCCN3C=1N(CC)C=C3)CC)=C1N(CC)C=CN1CCCN1C=2N(CC)C=C1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C
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	7.815 ± 0.004 Å
b	12.3 ± 0.007 Å
c	20.279 ± 0.012 Å
α	87.868 ± 0.011°
β	87.445 ± 0.01°
γ	83.528 ± 0.01°
Cell volume	1933.9 ± 1.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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 all reflections	0.0712
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7039664.cif
183923	2016-06-25	cif/ Adding structures of 7039663, 7039664, 7039665, 7039666 via cif-deposit CGI script.	7039664.cif