Crystallography Open Database

Information card for entry 7716742

Preview

Coordinates	7716742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H94 N8 O4 Pd2
Calculated formula	C80 H94 N8 O4 Pd2
Title of publication	Ni(II) and Pd(II) complexes of a new redox-active pentadentate azo-appended 2-aminophenol ligand: Pd(II)-assisted intraligand cyclization forms a phenoxazinyl ring.
Authors of publication	Bhowmik, Saumitra; Sengupta, Arunava; Mukherjee, Rabindranath
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	33
Pages of publication	14046 - 14064
a	13.9262 ± 0.0009 Å
b	18.0565 ± 0.0011 Å
c	18.0843 ± 0.0018 Å
α	103.105 ± 0.002°
β	112.102 ± 0.002°
γ	110.877 ± 0.002°
Cell volume	3578.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
294562 (current)	2024-09-06	cif/ Updating files of 7716740, 7716741, 7716742, 7716743 Original log message: Adding full bibliography for 7716740--7716743.cif.	7716742.cif
293548	2024-07-26	cif/ Adding structures of 7716740, 7716741, 7716742, 7716743 via cif-deposit CGI script.	7716742.cif