Crystallography Open Database

Information card for entry 4300115

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Coordinates	4300115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B Cl18 H52.5 O24 Rb0.44 Zr6
Calculated formula	B Cl18 O24 Rb0.432 Zr6
Title of publication	Reduced Zirconium Halide Clusters in Aqueous Solution
Authors of publication	Xiaobing Xie; Timothy Hughbanks
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	555 - 561
a	13.8962 ± 0.0003 Å
b	13.8962 ± 0.0003 Å
c	13.8962 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2683.42 ± 0.1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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