Crystallography Open Database

Information card for entry 7037236

Preview

Coordinates	7037236.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dh_177
Chemical name	complex 3-Zn
Formula	C54 H96 Cl5 Co3 N24 O32 Zn
Calculated formula	C54 H96 Cl5.0004 Co3 N24 O32.0016 Zn
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	28.732 ± 0.003 Å
b	28.732 ± 0.003 Å
c	17.5558 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	12551 ± 2 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0847
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7037236.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.	7037236.cif