Crystallography Open Database

Information card for entry 4312348

Preview

Coordinates	4312348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 F12 Fe2 N4 O4 Zn
Calculated formula	C38 H26 F12 Fe2 N4 O4 Zn
SMILES	[Zn]12([n]3cncc(c3)[c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[cH]3[cH]%11[cH]%10[cH]9[cH]83)([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([n]1cncc(c1)[c]13[cH]4[Fe]56789%101([cH]3[cH]5[cH]46)[cH]1[cH]%10[cH]9[cH]8[cH]71)[O]=C(C(F)(F)F)C=C(O2)C(F)(F)F
Title of publication	Metal-Centered Ferrocene Clusters from 5-Ferrocenylpyrimidine and Ferrocenylpyrazine
Authors of publication	Ryo Horikoshi; Chisato Nambu; Tomoyuki Mochida
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	6868 - 6875
a	16.945 ± 0.003 Å
b	13.016 ± 0.003 Å
c	17.544 ± 0.002 Å
α	90°
β	92.09 ± 0.02°
γ	90°
Cell volume	3866.9 ± 1.2 Å³
Cell temperature	296.2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.696
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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