Crystallography Open Database

Information card for entry 7047669

Preview

Coordinates	7047669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H100 K N12 Nb9 Ni3 O42 Ti
Calculated formula	C30 H72 K N12 Nb9 Ni3 O42 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	11.6781 ± 0.0005 Å
b	13.7488 ± 0.0008 Å
c	22.6762 ± 0.0013 Å
α	103.762 ± 0.004°
β	90.404 ± 0.004°
γ	98.135 ± 0.004°
Cell volume	3497.6 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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