Crystallography Open Database

Information card for entry 4517905

Preview

Coordinates	4517905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H7 Cs O15 Zr
Calculated formula	C6 H3 Cs O15 Zr
Title of publication	Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).
Authors of publication	Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	33
Pages of publication	21260 - 21270
a	7.7318 ± 0.0004 Å
b	9.1847 ± 0.0005 Å
c	10.6352 ± 0.0005 Å
α	78.861 ± 0.002°
β	72.333 ± 0.002°
γ	77.713 ± 0.002°
Cell volume	696.41 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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