Crystallography Open Database

Information card for entry 7047668

Preview

Coordinates	7047668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H108 K N12 Nb9 Ni3 O46 Ti
Calculated formula	C30 H72 K N12 Nb9 Ni3 O46 Ti
Title of publication	On the influence of the titanium source on the composition and structure of novel titanoniobates.
Authors of publication	Dopta, Joanna; Grzanna, Sven; Näther, Christian; Bensch, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	42
Pages of publication	15103 - 15113
a	25.313 ± 0.0006 Å
b	19.1246 ± 0.0005 Å
c	15.9741 ± 0.0004 Å
α	90°
β	100.847 ± 0.002°
γ	90°
Cell volume	7594.9 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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