Crystallography Open Database

Information card for entry 7249011

Preview

Coordinates	7249011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl5 N12 Zn
Calculated formula	C18 H15 Cl5 N12 Zn
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	6.9888 ± 0.0002 Å
b	10.2584 ± 0.0004 Å
c	18.2501 ± 0.0006 Å
α	102.553 ± 0.003°
β	90.641 ± 0.003°
γ	108.11 ± 0.003°
Cell volume	1209.5 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294518 (current)	2024-09-06	cif/ Updating files of 7249004, 7249005, 7249006, 7249007, 7249008, 7249009, 7249010, 7249011, 7249012 Original log message: Adding full bibliography for 7249004--7249012.cif.	7249011.cif
293361	2024-07-11	cif/ Adding structures of 7249004, 7249005, 7249006, 7249007, 7249008, 7249009, 7249010, 7249011, 7249012 via cif-deposit CGI script.	7249011.cif