Crystallography Open Database

Information card for entry 7249357

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Coordinates	7249357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H58 O53 S4 Zr6
Calculated formula	C8 H32 O40 S4 Zr6
Title of publication	Zr6O8 core cluster with formula unit [Zr6O4(OH)4(OH2)8(CH3COO)4(SO4)4]·nH2O obtained under mild conditions
Authors of publication	Garzón-Serrano, Andrea Y.; Lozano, Johan D.; Perez, Leon D.; Sierra, César A.; Macías, Mario A.
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	41
Pages of publication	29910 - 29918
a	13.9608 ± 0.0013 Å
b	27.9958 ± 0.0019 Å
c	14.7493 ± 0.0011 Å
α	90°
β	116.436 ± 0.011°
γ	90°
Cell volume	5161.9 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.0233
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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