Crystallography Open Database

Information card for entry 8104740

Preview

Coordinates	8104740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Cu I N5 O5
Calculated formula	C9 H8 Cu I N5 O5
Title of publication	Crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 N,O,O′)-(μ2-4-amino-4H-1,2,4-triazole-κ2 N:N′) copper(II)], C9H8N5O5CuI
Authors of publication	Lv, Benlian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	873 - 875
a	11.0801 ± 0.0004 Å
b	6.8489 ± 0.0003 Å
c	35.3975 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2686.19 ± 0.18 Å³
Cell temperature	291.66 ± 0.12 K
Ambient diffraction temperature	291.66 ± 0.12 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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

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