Crystallography Open Database

Information card for entry 7215790

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Coordinates	7215790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Br2 Cd N2 O4
Calculated formula	C12 H6 Br2 Cd N2 O4
Title of publication	Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid
Authors of publication	Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	24
Pages of publication	5244
a	12.0504 ± 0.0003 Å
b	9.9837 ± 0.0002 Å
c	24.8139 ± 0.0005 Å
α	90°
β	101.298 ± 0.001°
γ	90°
Cell volume	2927.45 ± 0.11 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.0468
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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