Crystallography Open Database

Information card for entry 8106031

Preview

Coordinates	8106031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8.5 N2 O7.25 Zn
Calculated formula	C6 H8.5 N2 O7.25 Zn
Title of publication	Crystal structure of catena-poly[diaqua(μ3-pyrazine-2,3-dicarboxylato-κ4 O,N:O′:O′′)zinc(II)] 1.25 hydrate, C6H8.5N2O7.25Zn
Authors of publication	Linxin, Deng; Song, Li; Xingyu, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	1
Pages of publication	21 - 22
a	6.4463 ± 0.0005 Å
b	8.418 ± 0.0007 Å
c	9.837 ± 0.0008 Å
α	66.13 ± 0.001°
β	79.537 ± 0.001°
γ	81.153 ± 0.002°
Cell volume	478.11 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.034
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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