Crystallography Open Database

Information card for entry 7011841

Preview

Coordinates	7011841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 N4 O14 P4 Zn4
Calculated formula	C12 H32 N4 O14 P4 Zn4
Title of publication	Hydrothermal synthesis and characterization of a new inorganic???organic hybrid layered zinc phosphate???phosphite (C6H15N2)2Zn4(PO4)2(HPO3)2
Authors of publication	Wang, Yu; Yu, Jihong; Du, Yu; Shi, Zhan; Zou, Yongcun; Xu, Ruren
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	21
Pages of publication	4060
a	9.706 ± 0.0017 Å
b	9.9929 ± 0.0016 Å
c	27.557 ± 0.005 Å
α	90°
β	96.795 ± 0.003°
γ	90°
Cell volume	2654 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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