Crystallography Open Database

Information card for entry 7715490

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Coordinates	7715490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C213 H307 Hf8 N9 O50
Calculated formula	C184 H226 Hf8 N2 O35
Title of publication	Construction of zirconium/hafnium-oxo clusters based on a new protection-calix[8]arene.
Authors of publication	Wang, Fei-Fei; Hou, Baoshan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	15
Pages of publication	6507 - 6514
a	21.07 ± 0.004 Å
b	30.684 ± 0.005 Å
c	17.217 ± 0.006 Å
α	90°
β	106.524 ± 0.007°
γ	90°
Cell volume	10671 ± 5 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290.56 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.102
Weighted residual factors for significantly intense reflections	0.2682
Weighted residual factors for all reflections included in the refinement	0.296
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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