Crystallography Open Database

Information card for entry 8105018

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Coordinates	8105018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Br2 N2 O7 Zn
Calculated formula	C14 H16 Br2 N2 O7 Zn
Title of publication	Crystal structure of aqua-bis(5-bromo-6-methyl-picolinato-κ2N,O)zinc(II) dihydrate, C14H16Br2N2O7Zn
Authors of publication	Li, Jun-Xia; Du, Zhong-Xiang; Bai, Ruo-Fei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	63 - 65
a	15.43 ± 0.0003 Å
b	10.6264 ± 0.0002 Å
c	11.4638 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1879.67 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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