Crystallography Open Database

Information card for entry 7216240

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Coordinates	7216240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H56 Ca2 N6 O32 P2
Calculated formula	C18 H24 Ca2 N6 O32 P2
Title of publication	Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.
Authors of publication	Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.
Journal of publication	CrystEngComm
Year of publication	2014
a	12.298 Å
b	8.762 Å
c	19.691 Å
α	90°
β	102.16°
γ	90°
Cell volume	2074.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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