Crystallography Open Database

Information card for entry 4112668

Preview

Structure parameters

Formula	C101 H92 Cu3 F12 N P8
Calculated formula	C101 H92 Cu3 F12 N P8
Title of publication	Synthesis, Photophysics, Electrochemistry, Theoretical, and Transient Absorption Studies of Luminescent Copper(I) and Silver(I) Diynyl Complexes. X-ray Crystal Structures of [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCPh)2]PF6 and [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCH)2]PF6
Authors of publication	Wing-Yin Lo; Chi-Ho Lam; Vivian Wing-Wah Yam; Nianyong Zhu; Kung-Kai Cheung; Sofiane Fathallah; Sabri Messaoudi; Boris Le Guennic; Samia Kahlal; Jean-François Halet
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	7300 - 7310
a	24.089 ± 0.005 Å
b	14.957 ± 0.003 Å
c	28.235 ± 0.006 Å
α	90°
β	110.53 ± 0.03°
γ	90°
Cell volume	9527 ± 4 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1206
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1904
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4112668.html