Crystallography Open Database

Information card for entry 7045171

Preview

Coordinates	7045171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H18 N O16 P4 Zn3
Calculated formula	C9 H16 N O16 P4 Zn3
Title of publication	Bipyridine-triggered modulation of structure and properties of zinc-diphosphonates: coordination role vs. template rule.
Authors of publication	Ma, Yu-Juan; Han, Song-De; Mu, Ying; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	5
Pages of publication	1650 - 1656
a	8.1301 ± 0.001 Å
b	11.6623 ± 0.0014 Å
c	11.8071 ± 0.0017 Å
α	78.467 ± 0.011°
β	78.512 ± 0.011°
γ	84.936 ± 0.01°
Cell volume	1073.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.051
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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