Crystallography Open Database

Information card for entry 7707894

Preview

Coordinates	7707894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H76 N2 Ni2 O22 Tb2
Calculated formula	C66 H76 N2 Ni2 O22 Tb2
Title of publication	Synthesis, characterization, magnetism and theoretical analysis of hetero-metallic [Ni<sub>2</sub>Ln<sub>2</sub>] partial di-cubane assemblies.
Authors of publication	Bhanja, Avik; Herchel, Radovan; Moreno-Pineda, Eufemio; Khara, Anjan; Wernsdorfer, Wolfgang; Ray, Debashis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	36
Pages of publication	12517 - 12527
a	11.272 ± 0.01 Å
b	11.493 ± 0.012 Å
c	13.955 ± 0.012 Å
α	78.47 ± 0.02°
β	76.06 ± 0.02°
γ	89.62 ± 0.04°
Cell volume	1718 ± 3 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 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	0.0455
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
269720 (current)	2021-10-06	cif/ Updating files of 7707892, 7707893, 7707894, 7707895 Original log message: Adding full bibliography for 7707892--7707895.cif.	7707894.cif
267773	2021-07-28	cif/ Adding structures of 7707892, 7707893, 7707894, 7707895 via cif-deposit CGI script.	7707894.cif