Crystallography Open Database

Information card for entry 8105546

Preview

Coordinates	8105546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 N4 O5.5 Zn
Calculated formula	C17 H21 N4 O5.5 Zn
Title of publication	Crystal structure of catena-poly[(μ2-pentane-1,5-dicarboxylato-κ2 O:O′)-(μ2-2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κ2 N:N′)zinc(II)] sesquihydrate, C17H21N4O5.5Zn
Authors of publication	Liu, Yan-Ju; Wang, Na; Liu, Ya; Cheng, Fang-Rong; Meng, Xiang-Ru
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	73 - 75
a	9.4009 ± 0.0012 Å
b	13.816 ± 0.0018 Å
c	15.1299 ± 0.0019 Å
α	90°
β	95.507 ± 0.003°
γ	90°
Cell volume	1956 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
276314 (current)	2022-06-28	cif/ Adding structures of 8105546 via cif-deposit CGI script.	8105546.cif