Crystallography Open Database

Information card for entry 7037234

Preview

Coordinates	7037234.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dh_183
Chemical name	Complex 3-Mn
Formula	C54 H96 Cl5 Co3 Mn N24 O32
Calculated formula	C54 H96 Cl4.99836 Co3 Mn N24 O31.9934
Title of publication	A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.
Authors of publication	Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	24
Pages of publication	10068 - 10075
a	28.81 ± 0.003 Å
b	28.81 ± 0.003 Å
c	16.9308 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	12170 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
185385 (current)	2016-08-07	cif/ Updating files of 7037228, 7037229, 7037230, 7037231, 7037232, 7037233, 7037234, 7037235, 7037236, 7037237, 7037238 Original log message: Adding full bibliography for 7037228--7037238.cif.	7037234.cif
170299	2015-11-14	cif/ Adding structures of 7037228, 7037229, 7037230, 7037231, 7037232, 7037233, 7037234, 7037235, 7037236, 7037237, 7037238 via cif-deposit CGI script.	7037234.cif