Crystallography Open Database

Information card for entry 7236807

Preview

Coordinates	7236807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H183 Li N41 Ni4 O66.5 P8
Calculated formula	C128 H120 Li N32 Ni4 O23 P8
Title of publication	Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations
Authors of publication	Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	29
Pages of publication	7352
a	24.222 ± 0.007 Å
b	24.222 ± 0.007 Å
c	17.62 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	10338 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	97
Hermann-Mauguin space group symbol	I 4 2 2
Hall space group symbol	I 4 2
Residual factor for all reflections	0.1889
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1823
Weighted residual factors for all reflections included in the refinement	0.2468
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236525 (current)	2019-11-24	cif/ Adding structures of 7236798, 7236799, 7236800, 7236801, 7236802, 7236803, 7236804, 7236805, 7236806, 7236807, 7236808, 7236809 via cif-deposit CGI script.	7236807.cif