Crystallography Open Database

Information card for entry 7131514

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Coordinates	7131514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Co N8 O
Calculated formula	C12 H19 Co N8 O
Title of publication	Improper ferroelastic phase transition in a hydrogen-bonded metallocyanide-based (azetidinium)<sub>2</sub>(H<sub>3</sub>O)[Co(CN)<sub>6</sub>] framework.
Authors of publication	Moskwa, Marcin; Sobieszczyk, Paweł; Mikurenda, Julia W.; Zieliński, Piotr; Rok, Magdalena
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	37
Pages of publication	5535 - 5538
a	14.497 ± 0.003 Å
b	8.5378 ± 0.0003 Å
c	14.317 ± 0.002 Å
α	90°
β	108.12 ± 0.03°
γ	90°
Cell volume	1684.2 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
284176 (current)	2023-06-05	cif/ Updating files of 7131513, 7131514 Original log message: Adding full bibliography for 7131513--7131514.cif.	7131514.cif
282220	2023-04-04	cif/ Adding structures of 7131513, 7131514 via cif-deposit CGI script.	7131514.cif