Crystallography Open Database

Information card for entry 7712656

Preview

Coordinates	7712656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Cl N5 O Pd
Calculated formula	C30 H22 Cl N5 O Pd
SMILES	[Pd]12([n]3c(N=C4N2C(=Nc2[n]1ccc(c2)C)c1ccc(Oc2cc5c(cc2)cccc5)cc41)cc(cc3)C)Cl
Title of publication	Synthesis, fabrication and characterization of 2-naphthyloxy group-substituted bis(2-pyridylimino)isoindoline and its derivatives as a positive electrode for vanadium redox flow battery applications.
Authors of publication	Gümrükçü, Selin; Özçeşmeci, Mukaddes; Koçyiğit, Nilüfer; Kaya, Kerem; Gül, Ahmet; Şahin, Yücel; Özçeşmeci, İbrahim
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	16
Pages of publication	5265 - 5276
a	8.6324 ± 0.0009 Å
b	10.5581 ± 0.0012 Å
c	16.7354 ± 0.0017 Å
α	79.298 ± 0.007°
β	87.886 ± 0.007°
γ	70.496 ± 0.007°
Cell volume	1412.2 ± 0.3 Å³
Cell temperature	303 ± 2 K
Ambient diffraction temperature	303 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1901
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.2033
Weighted residual factors for all reflections included in the refinement	0.2409
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
283310 (current)	2023-05-05	cif/ Updating files of 7712656, 7712657 Original log message: Adding full bibliography for 7712656--7712657.cif.	7712656.cif
281943	2023-03-19	cif/ Adding structures of 7712656, 7712657 via cif-deposit CGI script.	7712656.cif