Crystallography Open Database

Information card for entry 4317333

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Coordinates	4317333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H75 Cl Fe O16 Ti4
Calculated formula	C30 H75 Cl Fe O16 Ti4
Title of publication	Single-Source Materials for Metal-Doped Titanium Oxide: Syntheses, Structures, and Properties of a Series of Heterometallic Transition-Metal Titanium Oxo Cages
Authors of publication	Salvador Eslava; Mary McPartlin; Richard I. Thomson; Jeremy M. Rawson; Dominic S. Wright
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	11532 - 11540
a	21.9579 ± 0.0003 Å
b	10.9435 ± 0.0002 Å
c	22.4042 ± 0.0004 Å
α	90°
β	118.512 ± 0.001°
γ	90°
Cell volume	4730.7 ± 0.14 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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