Crystallography Open Database

Information card for entry 7057521

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Coordinates	7057521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H102 O25 Ti6
Calculated formula	C50 H102 O25 Ti6
Title of publication	Two new hexanuclear titanium oxo cluster types and their structural connection to known clusters
Authors of publication	Czakler, Matthias; Artner, Christine; Schubert, Ulrich
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	14
Pages of publication	12098
a	12.5972 ± 0.0003 Å
b	15.6563 ± 0.0003 Å
c	19.9053 ± 0.0004 Å
α	73.238 ± 0.001°
β	76.797 ± 0.001°
γ	83.588 ± 0.001°
Cell volume	3655.25 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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