Crystallography Open Database

Information card for entry 7229426

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Coordinates	7229426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H94 Co3 N22 O4 S6
Calculated formula	C126 H94 Co3 N22 O4 S6
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	11.7272 ± 0.0003 Å
b	14.522 ± 0.0004 Å
c	16.3087 ± 0.0004 Å
α	89.906 ± 0.001°
β	77.494 ± 0.001°
γ	81.515 ± 0.001°
Cell volume	2680.51 ± 0.12 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0576
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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