Crystallography Open Database

Information card for entry 7048403

Preview

Coordinates	7048403.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co7]
Formula	C97 H110 Co7 N8 O28.5
Calculated formula	C93 H93 Co7 N6 O18.5
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	19.8705 ± 0.0005 Å
b	22.1327 ± 0.0004 Å
c	23.1956 ± 0.0004 Å
α	90°
β	94.902 ± 0.002°
γ	90°
Cell volume	10163.8 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1906
Residual factor for significantly intense reflections	0.1737
Weighted residual factors for significantly intense reflections	0.3229
Weighted residual factors for all reflections included in the refinement	0.3316
Goodness-of-fit parameter for all reflections included in the refinement	1.335
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
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.	7048403.cif
212702	2018-12-21	cif/ Adding structures of 7048397, 7048398, 7048399, 7048400, 7048401, 7048402, 7048403 via cif-deposit CGI script.	7048403.cif