Crystallography Open Database

Information card for entry 7014769

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Structure parameters

Formula	C80 H141 N5 Ni3 O36 Zr6
Calculated formula	C80 H141 N5 Ni3 O36 Zr6
Title of publication	Heterometal expansion of oxozirconium carboxylate clusters.
Authors of publication	Malaestean, Iurii L.; Speldrich, Manfred; Ellern, Arkady; Baca, Svetlana G.; Kögerler, Paul
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	2
Pages of publication	331 - 333
a	14.945 ± 0.003 Å
b	15.548 ± 0.003 Å
c	25.356 ± 0.005 Å
α	77.22 ± 0.03°
β	75.05 ± 0.03°
γ	64.91 ± 0.03°
Cell volume	5113 ± 2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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