Crystallography Open Database

Information card for entry 1561437

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Coordinates	1561437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Br3 N5 O5 Zn
Calculated formula	C20 H20 Br3 N5 O5 Zn
Title of publication	Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains
Authors of publication	He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	239
Pages of publication	113 - 120
a	8.557 ± 0.002 Å
b	15.121 ± 0.004 Å
c	10.374 ± 0.003 Å
α	90°
β	90.834 ± 0.005°
γ	90°
Cell volume	1342.2 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1371
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.2134
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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