Crystallography Open Database

Information card for entry 7229434

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Coordinates	7229434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 N8 O9 Zn3
Calculated formula	C50 H34 N8 O9 Zn3
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	26.3576 ± 0.0017 Å
b	10.1239 ± 0.0006 Å
c	27.0731 ± 0.0017 Å
α	90°
β	101.522 ± 0.002°
γ	90°
Cell volume	7078.7 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.2064
Weighted residual factors for all reflections included in the refinement	0.2205
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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