Crystallography Open Database

Information card for entry 2200726

2200725 << 2200726 >> 2200727

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Structure parameters

Common name	Cytosine Cadmium Dibromide
Chemical name	Bis-(4-amino-2(1H)-pyridinone)dibromocadmium(II)
Formula	C8 H10 Br2 Cd N6 O2
Calculated formula	C8 H10 Br2 Cd N6 O2
SMILES	[Cd](Br)(Br)([N]1C(=O)NC=CC=1N)[N]1C(=O)NC=CC=1N
Title of publication	Metal‒nucleobase interaction: dibromobis(cytosine)cadmium(II)
Authors of publication	Thomas Muthiah, Packianathan; Justin Robert, Jebamony; Baskar Raj, Savarimuthu; Bocelli, Gabriele; Rita Ollá
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	12
Pages of publication	m558 - m560
a	7.874 ± 0.002 Å
b	12.624 ± 0.003 Å
c	7.117 ± 0.003 Å
α	105.87 ± 0.04°
β	92.67 ± 0.03°
γ	87.93 ± 0.03°
Cell volume	679.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections	0.158
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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