Crystallography Open Database

Information card for entry 7062460

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Coordinates	7062460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H36 Cu N4
Calculated formula	C60 H36 Cu N4
Title of publication	Regioselective 2,3-disubstituted porphyrins: synthesis, spectral, structural and electrochemical properties
Authors of publication	Arif, Waseem; Kumar, Ravi
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	22
Pages of publication	10541 - 10551
a	11.6718 ± 0.0005 Å
b	13.6174 ± 0.0007 Å
c	15.3876 ± 0.0007 Å
α	66.911 ± 0.001°
β	82.288 ± 0.001°
γ	67.669 ± 0.001°
Cell volume	2080.75 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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