Crystallography Open Database

Information card for entry 4300113

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Coordinates	4300113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B Cl18 H38.45 O16.97 Zr6
Calculated formula	B Cl18 O16.96 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	11.5375 ± 0.0002 Å
b	11.5375 ± 0.0002 Å
c	15.7169 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2092.14 ± 0.07 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for all reflections	0.0712
Weighted residual factors for significantly intense reflections	0.0574
Goodness-of-fit parameter for all reflections	0.988
Goodness-of-fit parameter for significantly intense reflections	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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