Crystallography Open Database

Information card for entry 7229430

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Coordinates	7229430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H34 N6 Zn
Calculated formula	C58 H34 N6 Zn
Title of publication	New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†
Authors of publication	Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel
Journal of publication	CrystEngComm
Year of publication	2017
a	13.2582 ± 0.0005 Å
b	14.327 ± 0.0005 Å
c	14.2378 ± 0.0005 Å
α	90°
β	115.828 ± 0.001°
γ	90°
Cell volume	2434.31 ± 0.15 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
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	0.1502
Residual factor for significantly intense reflections	0.126
Weighted residual factors for significantly intense reflections	0.3706
Weighted residual factors for all reflections included in the refinement	0.3807
Goodness-of-fit parameter for all reflections included in the refinement	2.797
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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