Crystallography Open Database

Information card for entry 7034981

Preview

Coordinates	7034981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8.3 Br2 N2 O5.15 Zn
Calculated formula	C12 H7.6 Br2 N2 O5.15 Zn
Title of publication	Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.
Authors of publication	Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	24
Pages of publication	11109 - 11118
a	7.782 ± 0.005 Å
b	7.787 ± 0.005 Å
c	26.565 ± 0.017 Å
α	90°
β	96.944 ± 0.013°
γ	90°
Cell volume	1598 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1467
Residual factor for significantly intense reflections	0.1101
Weighted residual factors for significantly intense reflections	0.2363
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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