Crystallography Open Database

Information card for entry 7716661

Preview

Coordinates	7716661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H88 Co F6 N8 O11 S2
Calculated formula	C50.998 H88 Co F5.994 N8 O10.994 S1.998
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	13.1393 ± 0.0001 Å
b	18.0237 ± 0.0001 Å
c	27.0667 ± 0.0002 Å
α	90°
β	99.18 ± 0.001°
γ	90°
Cell volume	6327.81 ± 0.08 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	0.0507
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	7716661.cif
293452	2024-07-18	cif/ Adding structures of 7716656, 7716657, 7716658, 7716659, 7716660, 7716661, 7716662 via cif-deposit CGI script.	7716661.cif