Crystallography Open Database

Information card for entry 2103751

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Structure parameters

Common name	bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bispyrimidinecopper(II)
Chemical name	catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-pyrimidine-N1:N3] copper(II)
Formula	C14 H6 Cu F12 N2 O4
Calculated formula	C14 H6 Cu F12 N2 O4
SMILES	[Cu]12([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)([n]1cnccc1)[n]1c[n]([Cu]23([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)ccc1
Title of publication	Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions
Authors of publication	Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Journal of publication	Acta Crystallographica Section B
Year of publication	2001
Journal volume	57
Journal issue	6
Pages of publication	772 - 779
a	18.3757 ± 0.0017 Å
b	18.3757 Å
c	22.137 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7474.9 ± 1.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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