Crystallography Open Database

Information card for entry 1551318

Preview

Coordinates	1551318.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	quinuclidinium perrhenate
Formula	C7 H14 N O4 Re
Calculated formula	C7.9992 O4 Re
Title of publication	Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules
Authors of publication	Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe
Journal of publication	Nature Chemistry
Year of publication	2016
Journal volume	8
Pages of publication	946 - 952
a	6.3881 ± 0.0011 Å
b	6.3881 ± 0.0011 Å
c	6.3881 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	260.68 ± 0.08 Å³
Cell temperature	380 K
Ambient diffraction temperature	380 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
215815 (current)	2019-06-11	cif/ Adding structures of 1551318 via cif-deposit CGI script.	1551318.cif