Crystallography Open Database

Information card for entry 8104898

Preview

Coordinates	8104898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 N O9 Zn
Calculated formula	C27 H18 N O9 Zn
Title of publication	Crystal structure of poly[aqua-(μ 2-3,3′,4,5′-biphenyl tetracarboxylate- κ 3 O,O′:O′′) -(μ 2-4,4′-bis(pyrid-4-yl)biphenyl-κ 2 N:N′)zinc(II)], C27H18NO9Zn
Authors of publication	Luo, Jie; Wang, Xiao-Wei; Zheng, Ying-Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	1
Pages of publication	117 - 119
a	8.4357 ± 0.001 Å
b	10.1228 ± 0.001 Å
c	13.5186 ± 0.001 Å
α	83.83 ± 0.007°
β	84.306 ± 0.008°
γ	89.406 ± 0.009°
Cell volume	1142 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0929
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
274037 (current)	2022-03-28	cif/ Adding structures of 8104898 via cif-deposit CGI script.	8104898.cif