Crystallography Open Database

Information card for entry 7215793

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Coordinates	7215793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 Cd N3 O6
Calculated formula	C15 H21 Cd N3 O6
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	9.2879 ± 0.0003 Å
b	11.9733 ± 0.0003 Å
c	16.3513 ± 0.0005 Å
α	90°
β	101.709 ± 0.0016°
γ	90°
Cell volume	1780.54 ± 0.09 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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