Crystallography Open Database

Information card for entry 7117063

Preview

Coordinates	7117063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N5 O13 P3 Zn3
Calculated formula	C18 H16 N5 O13 P3 Zn3
Title of publication	The first zinc phosphite with remarkable structural and functional transformations
Authors of publication	Wang, Chih-Min; Chang, Tsung-Yuan; Lee, Li-Wei; Lin, Hsiu-Mei; Lu, Kuang-Lieh; Lii, Kwang-Hwa
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2015
Journal volume	51
Journal issue	37
Pages of publication	7824 - 7826
a	9.2153 ± 0.0004 Å
b	11.1328 ± 0.0006 Å
c	15.2684 ± 0.0009 Å
α	70.278 ± 0.003°
β	83.973 ± 0.003°
γ	71.336 ± 0.003°
Cell volume	1396.98 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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