Crystallography Open Database

Information card for entry 1546848

Preview

Coordinates	1546848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 N6 O7 Zn
Calculated formula	C16 H10 N6 O7 Zn
Title of publication	Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties
Authors of publication	Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	39
Pages of publication	5864 - 5872
a	7.8558 ± 0.0003 Å
b	13.5861 ± 0.0005 Å
c	31.5006 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3362 ± 0.2 Å³
Cell temperature	289 ± 0.5 K
Ambient diffraction temperature	289 ± 0.5 K
Number of distinct elements	5
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	0.0566
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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