Crystallography Open Database

Information card for entry 4308499

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Coordinates	4308499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H17 N2 O12 P3 Zn2
Calculated formula	C4 H17 N2 O12 P3 Zn2
Title of publication	New Amine-Templated Zinc Phosphates with a Temperature-Induced Increase of Structural Dimensionality
Authors of publication	Torben R. Jensen; Nicolas Gérentes; Josua Jepsen; Rita G. Hazell; Hans J. Jakobsen
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	658 - 665
a	11.7877 ± 0.0004 Å
b	5.2093 ± 0.0002 Å
c	12.2031 ± 0.0004 Å
α	90°
β	98.198 ± 0.001°
γ	90°
Cell volume	741.68 ± 0.05 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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