Crystallography Open Database

Information card for entry 7126928

Preview

Coordinates	7126928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Co N10 Na O
Calculated formula	C12 H24 Co N10 Na O
Title of publication	A large room-temperature entropy change in a new hybrid ferroelastic with an unconventional bond-switching mechanism.
Authors of publication	Xu, Wei-Jian; Zeng, Ying; Yuan, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	69
Pages of publication	10054 - 10057
a	8.4803 ± 0.0003 Å
b	12.4172 ± 0.0009 Å
c	9.5901 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1009.85 ± 0.1 Å³
Cell temperature	333 ± 2 K
Ambient diffraction temperature	333 ± 2 K
Number of distinct elements	6
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
255958 (current)	2020-09-06	cif/ Updating files of 7126928, 7126929 Original log message: Adding full bibliography for 7126928--7126929.cif.	7126928.cif
254363	2020-07-17	cif/ Adding structures of 7126928, 7126929 via cif-deposit CGI script.	7126928.cif