Crystallography Open Database

Information card for entry 7063503

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Coordinates	7063503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H49 N5 O4 Zn
Calculated formula	C65 H49 N5 O4 Zn
Title of publication	β-Methoxyphenyl substituted porphyrins: synthesis, characterization and comprehensive spectral, structural, electrochemical and theoretical analysis
Authors of publication	Arif, Waseem; Kumar, Vipin; Chetti, Prabhakar; Kumar, Ravi
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	44
Pages of publication	18848 - 18864
a	9.9765 ± 0.0003 Å
b	41.7796 ± 0.0016 Å
c	13.3216 ± 0.0005 Å
α	90°
β	107.303 ± 0.001°
γ	90°
Cell volume	5301.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1118
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.1851
Goodness-of-fit parameter for all reflections included in the refinement	1.23
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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