Crystallography Open Database

Information card for entry 4301866

Preview

Coordinates	4301866.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(pyrimidine-4,6-dicarboxylate)-iron(ii) bisaquo
Formula	C6 H6 Fe N2 O6
Calculated formula	C6 H2 Fe N2 O6
Title of publication	Thermally Induced Interconversions of Metal-Pyrimidine-4,6-dicarboxylate Polymers: A Structural, Spectroscopic, and Magnetic Study
Authors of publication	Norberto Masciocchi; Simona Galli; Giulia Tagliabue; Angelo Sironi; Oscar Castillo; Antonio Luque; Garikoitz Beobide; Wenguo Wang; M. Angustias Romero; Elisa Barea; Jorge A. R. Navarro
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3087 - 3094
a	6.97257 ± 0.00026 Å
b	11.85997 ± 0.00043 Å
c	10.97487 ± 0.00043 Å
α	90°
β	92.4017 ± 0.0023°
γ	90°
Cell volume	906.76 ± 0.06 Å³
Cell temperature	393 ± 2 K
Ambient diffraction temperature	393 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Goodness-of-fit parameter for all reflections	7.04
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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