Crystallography Open Database

Information card for entry 7716656

Preview

Coordinates	7716656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 Co F6 N4 O5 S
Calculated formula	C23 H29 Co F6 N4 O5 S
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	11.2271 ± 0.0001 Å
b	26.3205 ± 0.0004 Å
c	19.3546 ± 0.0002 Å
α	90°
β	94.839 ± 0.001°
γ	90°
Cell volume	5698.95 ± 0.12 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7716656.cif
293452	2024-07-18	cif/ Adding structures of 7716656, 7716657, 7716658, 7716659, 7716660, 7716661, 7716662 via cif-deposit CGI script.	7716656.cif