Crystallography Open Database

Information card for entry 7014768

Preview

Coordinates	7014768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73.33 H141 N3.67 Ni3 O38 Zr6
Calculated formula	C73.3333 H141 N3.66667 Ni3 O38 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	20.3626 ± 0.0007 Å
b	31.919 ± 0.0011 Å
c	47.5022 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	30874.2 ± 1.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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