Crystallography Open Database

Information card for entry 4301867

Preview

Coordinates	4301867.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(pyrimidine-4,6-dicarboxylate)-nickel(ii) bisaquo
Formula	C6 H6 N2 Ni O6
Calculated formula	C6 H2 N2 Ni 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	6.8972 ± 0.0014 Å
b	11.8628 ± 0.0014 Å
c	10.6916 ± 0.0025 Å
α	90°
β	94.1109 ± 0.0088°
γ	90°
Cell volume	872.5 ± 0.3 Å³
Cell temperature	403 ± 2 K
Ambient diffraction temperature	403 ± 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	3.29
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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