Crystallography Open Database

Information card for entry 7249006

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Coordinates	7249006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 Cd Cl3 N4
Calculated formula	C12 H9 Cd Cl3 N4
Title of publication	Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
Authors of publication	Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	33
Pages of publication	4418 - 4430
a	13.7616 ± 0.0005 Å
b	13.875 ± 0.0003 Å
c	17.3043 ± 0.0007 Å
α	90°
β	112.316 ± 0.005°
γ	90°
Cell volume	3056.7 ± 0.2 Å³
Cell temperature	295.9 ± 0.1 K
Ambient diffraction temperature	295.9 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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