Crystallography Open Database

Information card for entry 2103752

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Structure parameters

Common name	bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bis(4-methylpyrimidine) copper(II)
Chemical name	catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-4-methylpyrimidine- N1:N3]copper(II)
Formula	C15 H8 Cu F12 N2 O4
Calculated formula	C15 H8 Cu F12 N2 O4
SMILES	C1(=CC(=[O][Cu]2([n]3cnc(cc3)C)(O1)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
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	19.253 ± 0.008 Å
b	19.253 Å
c	22.38 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	8296 ± 5 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.12
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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