Crystallography Open Database

Information card for entry 7249005

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Coordinates	7249005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 Cl3 Hg N4
Calculated formula	C6 H5 Cl3 Hg 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	13.1765 ± 0.0004 Å
b	10.5309 ± 0.0004 Å
c	14.9341 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2072.26 ± 0.12 Å³
Cell temperature	99.97 ± 0.1 K
Ambient diffraction temperature	99.97 ± 0.1 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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