Crystallography Open Database

Information card for entry 4517900

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Coordinates	4517900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H30 O34 Zr2
Calculated formula	C10 H30 O34 Zr2
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	6.9269 ± 0.0003 Å
b	10.4427 ± 0.0006 Å
c	10.6447 ± 0.0006 Å
α	78.421 ± 0.002°
β	86.155 ± 0.002°
γ	89.945 ± 0.002°
Cell volume	752.56 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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