Crystallography Open Database

Information card for entry 7249004

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Coordinates	7249004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7 Cl3 Hg N4
Calculated formula	C8 H7 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	21.2883 ± 0.0013 Å
b	7.9852 ± 0.0004 Å
c	15.3182 ± 0.0008 Å
α	90°
β	108.751 ± 0.006°
γ	90°
Cell volume	2465.8 ± 0.2 Å³
Cell temperature	99.99 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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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