Crystallography Open Database

Information card for entry 7705243

Preview

Coordinates	7705243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 F12 N10 Ni O4 P2
Calculated formula	C38 H34 F12 N10 Ni O4 P2
SMILES	[Ni]1234(OC(=N\c5[n+](cccc5)C)/c5[n]2c(/C(O1)=N/c1[n+](C)cccc1)ccc5)[n]1c(C(=O)N3c2[n+](cccc2)C)cccc1C(=O)N4c1[n+](C)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.
Authors of publication	Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	36
Pages of publication	12662 - 12673
a	11.976 ± 0.0002 Å
b	21.8343 ± 0.0003 Å
c	16.1933 ± 0.0002 Å
α	90°
β	92.267 ± 0.001°
γ	90°
Cell volume	4231.03 ± 0.11 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 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	0.1133
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257541 (current)	2020-10-06	cif/ Updating files of 7705237, 7705238, 7705239, 7705240, 7705241, 7705242, 7705243, 7705244, 7705245 Original log message: Adding full bibliography for 7705237--7705245.cif.	7705243.cif
255576	2020-08-22	cif/ Adding structures of 7705237, 7705238, 7705239, 7705240, 7705241, 7705242, 7705243, 7705244, 7705245 via cif-deposit CGI script.	7705243.cif