Crystallography Open Database

Information card for entry 1558861

Preview

Coordinates	1558861.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RbCo[W(CN)8](3CNpy)2_HT_phase
Chemical name	RbCoW_3CNpy_HT_phase
Formula	C20 H8 Co N12 Rb W
Calculated formula	C20 H8 Co N12 Rb W
Title of publication	Extremely low-frequency phonon material and its temperature- and photo-induced switching effects
Authors of publication	Yoshida, Takaya; Nakabayashi, Koji; Tokoro, Hiroko; Yoshikiyo, Marie; Namai, Asuka; Imoto, Kenta; Chiba, Kouji; Ohkoshi, Shin-ichi
Journal of publication	Chemical Science
Year of publication	2020
a	7.5298 ± 0.0004 Å
b	13.7545 ± 0.0007 Å
c	14.0687 ± 0.0006 Å
α	119.276 ± 0.004°
β	101.02 ± 0.006°
γ	89.974 ± 0.006°
Cell volume	1240.15 ± 0.12 Å³
Cell temperature	300 K
Ambient diffraction temperature	300.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
255412 (current)	2020-08-18	cif/ Adding structures of 1558861, 1558862 via cif-deposit CGI script.	1558861.cif