Crystallography Open Database

Information card for entry 7048402

Preview

Coordinates	7048402.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co4]-(6)
Formula	C60 H70 Co4 N6 O19
Calculated formula	C60 H70 Co4 N6 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	9.0455 ± 0.0006 Å
b	12.6133 ± 0.0009 Å
c	14.443 ± 0.001 Å
α	92.607 ± 0.006°
β	104.914 ± 0.006°
γ	103.757 ± 0.006°
Cell volume	1536.6 ± 0.2 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	0.0733
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
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.	7048402.cif
212702	2018-12-21	cif/ Adding structures of 7048397, 7048398, 7048399, 7048400, 7048401, 7048402, 7048403 via cif-deposit CGI script.	7048402.cif