Crystallography Open Database

Information card for entry 8107131

Preview

Coordinates	8107131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H5 N5 Ni O3
Calculated formula	C5 H5 N5 Ni O3
Title of publication	Crystal structure of two-dimensional coordination polymer poly-[μ2-azido-aqua-(μ2-pyrazine-2-carboxylato-κ3 O,N:N′)nickel(II)], C5H5N5O3Ni
Authors of publication	Youzhu, Yu; Yuhua, Guo; Liguo, Yang; Yongsheng, Niu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1163 - 1164
a	8.5804 ± 0.0017 Å
b	13.79 ± 0.003 Å
c	13.969 ± 0.003 Å
α	90°
β	104.37 ± 0.03°
γ	90°
Cell volume	1601.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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