Crystallography Open Database

Information card for entry 8105473

Preview

Coordinates	8105473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 Hg N12 O7
Calculated formula	C21 H22 Hg N12 O7
Title of publication	Crystal structure of catena-poly[(μ2-1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ2 N:N′)-(1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ1N)-(methanol-κ1 O)mercury(II)] dinitrate, C21H22N12O7Hg
Authors of publication	Sun, Shu-Xiang; Lu, Zhi-Min; Zhang, Ke-Qing; Yao, Pei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1385 - 1387
a	13.655 ± 0.003 Å
b	8.7038 ± 0.0017 Å
c	23.26 ± 0.005 Å
α	90°
β	102.51 ± 0.03°
γ	90°
Cell volume	2698.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
276179 (current)	2022-06-23	cif/ Adding structures of 8105473 via cif-deposit CGI script.	8105473.cif