Crystallography Open Database

Information card for entry 7216235

Preview

Coordinates	7216235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Ca Cl2 N12 O18
Calculated formula	C16 H32 Ca Cl2 N12 O18
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	6.966 ± 0.003 Å
b	10.138 ± 0.002 Å
c	13.113 ± 0.003 Å
α	70.48 ± 0.02°
β	86.08 ± 0.03°
γ	71.43 ± 0.03°
Cell volume	826.6 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1379
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.226
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180493 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/62.	7216235.cif
115049	2014-06-02	cif/ Adding structures of 7216235, 7216236, 7216237, 7216238, 7216239, 7216240 via cif-deposit CGI script.	7216235.cif