Crystallography Open Database

Information card for entry 7048398

Preview

Coordinates	7048398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H48 Co N3 O8
Calculated formula	C45 H42 Co N3 O6
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	10.369 ± 0.0002 Å
b	10.7727 ± 0.0003 Å
c	20.5457 ± 0.0007 Å
α	85.474 ± 0.002°
β	84.339 ± 0.002°
γ	63.261 ± 0.003°
Cell volume	2038.05 ± 0.11 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	0.0483
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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.	7048398.cif
212702	2018-12-21	cif/ Adding structures of 7048397, 7048398, 7048399, 7048400, 7048401, 7048402, 7048403 via cif-deposit CGI script.	7048398.cif