Crystallography Open Database

Information card for entry 7231872

Preview

Coordinates	7231872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cd N10
Calculated formula	C18 H7 Cd N10
Title of publication	Temperature-dependent studies of a new two-dimensional cadmium dicyanamide framework exhibiting an unusual temperature-induced irreversible phase transition into a three-dimensional perovskite-like framework.
Authors of publication	Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Sieradzki, Adam
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	47
Pages of publication	29951 - 29958
a	16.2757 ± 0.0002 Å
b	16.2757 ± 0.0002 Å
c	17.5837 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4657.89 ± 0.13 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.1942
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230930 (current)	2019-11-17	cif/ Updating files of 7231870, 7231871, 7231872 Original log message: Adding full bibliography for 7231870--7231872.cif.	7231872.cif
212193	2018-11-27	cif/ Adding structures of 7231870, 7231871, 7231872 via cif-deposit CGI script.	7231872.cif