Crystallography Open Database

Information card for entry 7033248

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Coordinates	7033248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H72 Cu3 F18 N24 P3
Calculated formula	C81 H72 Cu3 F18 N24 P3
Title of publication	Simple synthesis of neutral and cationic Cu-NHC complexes.
Authors of publication	Liu, Bo; Ma, Xueji; Wu, Feifei; Chen, Wanzhi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	4
Pages of publication	1836 - 1844
a	19.3418 ± 0.0006 Å
b	20.3706 ± 0.0005 Å
c	25.5215 ± 0.0007 Å
α	90°
β	97.939 ± 0.002°
γ	90°
Cell volume	9959.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0945
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1771
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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