Crystallography Open Database

Information card for entry 7709236

Preview

Coordinates	7709236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H49.5 Ba N2 Ni3 O28
Calculated formula	C39.5 H41.5 Ba N2 Ni3 O26
Title of publication	Self-assembly of non-macrocyclic triangular Ni<sub>3</sub>Ln clusters.
Authors of publication	Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	4
Pages of publication	1446 - 1453
a	11.0862 ± 0.0006 Å
b	15.529 ± 0.0009 Å
c	16.8872 ± 0.0009 Å
α	115.311 ± 0.004°
β	101.491 ± 0.004°
γ	97.235 ± 0.004°
Cell volume	2501.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0926
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272692 (current)	2022-02-04	cif/ Updating files of 7709235, 7709236, 7709237, 7709238 Original log message: Adding full bibliography for 7709235--7709238.cif.	7709236.cif
271823	2022-01-06	cif/ Adding structures of 7709235, 7709236, 7709237, 7709238 via cif-deposit CGI script.	7709236.cif