Crystallography Open Database

Information card for entry 7048399

Preview

Coordinates	7048399.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ni4]
Formula	C60 H72 N6 Ni4 O19
Calculated formula	C60 H72 N6 Ni4 O19
Title of publication	Crowding out: ligand modifications and their structure directing effects on brucite-like {M<sub>x</sub>(μ<sub>3</sub>-OH)<sub>y</sub>} (M = Co(ii), Ni(ii)) core growth within polymetallic cages.
Authors of publication	Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	4
Pages of publication	1477 - 1488
a	9.0156 ± 0.0002 Å
b	12.5137 ± 0.0002 Å
c	14.5497 ± 0.0002 Å
α	93.129 ± 0.001°
β	105.662 ± 0.002°
γ	105.28 ± 0.002°
Cell volume	1510.62 ± 0.05 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224075 (current)	2019-11-07	cif/ Updating files of 7048397, 7048398, 7048399, 7048400, 7048401, 7048402, 7048403 Original log message: Adding full bibliography for 7048397--7048403.cif.	7048399.cif
212702	2018-12-21	cif/ Adding structures of 7048397, 7048398, 7048399, 7048400, 7048401, 7048402, 7048403 via cif-deposit CGI script.	7048399.cif