Crystallography Open Database

Information card for entry 7122459

Preview

Coordinates	7122459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 Gd N79 Ni10 O17
Calculated formula	C40 H60 Gd N79 Ni10 O17
Title of publication	Increasing the nuclearity and spin ground state in a new family of ferromagnetically-coupled {Ni<sub>10</sub>} disk-like complexes bearing exclusively end-on bridging azido ligands.
Authors of publication	Krause, Jasmin; Alexandropoulos, Dimitris I.; Carrella, Luca M.; Rentschler, Eva; Stamatatos, Theocharis C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	88
Pages of publication	12499 - 12502
a	11.1561 ± 0.0016 Å
b	17.898 ± 0.003 Å
c	28.868 ± 0.004 Å
α	105.722 ± 0.004°
β	93.827 ± 0.004°
γ	103.427 ± 0.004°
Cell volume	5344.8 ± 1.4 Å³
Cell temperature	173.15 ± 0.02 K
Ambient diffraction temperature	173.15 ± 0.02 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	0.226
Residual factor for significantly intense reflections	0.1433
Weighted residual factors for significantly intense reflections	0.2949
Weighted residual factors for all reflections included in the refinement	0.3313
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228196 (current)	2019-11-17	cif/ Updating files of 7122459, 7122460, 7122461, 7122462 Original log message: Adding full bibliography for 7122459--7122462.cif.	7122459.cif
211468	2018-10-16	cif/ Adding structures of 7122459, 7122460, 7122461, 7122462 via cif-deposit CGI script.	7122459.cif