Crystallography Open Database

Information card for entry 7039560

Preview

Coordinates	7039560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H94 Co N6 P3 Zr
Calculated formula	C63 H94 Co N6 P3 Zr
Title of publication	Multi-electron redox processes at a Zr(iv) center facilitated by an appended redox-active cobalt-containing metalloligand.
Authors of publication	Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	27
Pages of publication	11182 - 11190
a	11.867 ± 0.0003 Å
b	22.1741 ± 0.0006 Å
c	23.7819 ± 0.0007 Å
α	90°
β	93.5286 ± 0.0014°
γ	90°
Cell volume	6246.1 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
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	0.0411
Residual factor for significantly intense reflections	0.03
Weighted residual factors for all reflections	0.0766
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	0.9962
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
185393 (current)	2016-08-07	cif/ Updating files of 7039558, 7039559, 7039560, 7039561, 7039562 Original log message: Adding full bibliography for 7039558--7039562.cif.	7039560.cif
183655	2016-06-17	cif/ Adding structures of 7039558, 7039559, 7039560, 7039561, 7039562 via cif-deposit CGI script.	7039560.cif