Crystallography Open Database

Information card for entry 7060464

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Coordinates	7060464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H12 N8 Ni
Calculated formula	C22 H12 N8 Ni
Title of publication	Syntheses, structures and magnetic properties of two isostructural dicyanamide-bridged 2D polymers
Authors of publication	Kliuikov, Andrii; Bukrynov, Oleksandr; Čižmár, Erik; Váhovská, Lucia; Vitushkina, Svitlana; Samoľová, Erika; Potočňák, Ivan
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	16
Pages of publication	7117 - 7128
a	9.9542 ± 0.0001 Å
b	15.8951 ± 0.0001 Å
c	12.5557 ± 0.0001 Å
α	90°
β	97.178 ± 0.001°
γ	90°
Cell volume	1971.03 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264918 (current)	2021-05-05	cif/ Updating files of 7060463, 7060464 Original log message: Adding full bibliography for 7060463--7060464.cif.	7060464.cif
263154	2021-03-19	cif/ Adding structures of 7060463, 7060464 via cif-deposit CGI script.	7060464.cif