Crystallography Open Database

Information card for entry 7710475

Preview

Coordinates	7710475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 Cl Co N2 P
Calculated formula	C23 H32 Cl Co N2 P
SMILES	[Co]12(Cl)[P](CCN1c1cccc3ccc[n]2c13)(C1CCCCC1)C1CCCCC1
Title of publication	Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength
Authors of publication	Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.
Journal of publication	Dalton Transactions
Year of publication	2022
a	6.9916 ± 0.0009 Å
b	9.4534 ± 0.001 Å
c	16.8751 ± 0.0019 Å
α	90°
β	98.836 ± 0.009°
γ	90°
Cell volume	1102.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1636
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276011 (current)	2022-06-14	cif/ Adding structures of 7710473, 7710474, 7710475, 7710476, 7710477, 7710478, 7710479, 7710480 via cif-deposit CGI script.	7710475.cif