Crystallography Open Database

Information card for entry 7716659

Preview

Coordinates	7716659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H43 Co F6 N4 O9 S2
Calculated formula	C29 H43 Co F6 N4 O9 S2
Title of publication	Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.
Authors of publication	Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	31
Pages of publication	13174 - 13183
a	15.1203 ± 0.0003 Å
b	10.1625 ± 0.0005 Å
c	24.1368 ± 0.0006 Å
α	90°
β	92.2917 ± 0.0019°
γ	90°
Cell volume	3705.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2102
Weighted residual factors for all reflections included in the refinement	0.2206
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294578 (current)	2024-09-06	cif/ Updating files of 7716656, 7716657, 7716658, 7716659, 7716660, 7716661, 7716662 Original log message: Adding full bibliography for 7716656--7716662.cif.	7716659.cif
293452	2024-07-18	cif/ Adding structures of 7716656, 7716657, 7716658, 7716659, 7716660, 7716661, 7716662 via cif-deposit CGI script.	7716659.cif