Crystallography Open Database

Information card for entry 1551316

Preview

Coordinates	1551316.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	quinuclidinium perrhenate
Formula	C7 H14 N O4 Re
Calculated formula	C7 H14 N 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	8.9571 ± 0.0009 Å
b	5.9973 ± 0.0006 Å
c	9.1546 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	491.77 ± 0.08 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300.15 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0148
Residual factor for significantly intense reflections	0.0147
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.0368
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
215813 (current)	2019-06-11	cif/ Adding structures of 1551316 via cif-deposit CGI script.	1551316.cif