Crystallography Open Database

Information card for entry 7045055

Preview

Coordinates	7045055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H75 N18 O12
Calculated formula	C96 H75 N18 O12
Title of publication	Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.
Authors of publication	Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	3
Pages of publication	783 - 790
a	15.6606 ± 0.0003 Å
b	18.9312 ± 0.0003 Å
c	20.425 ± 0.0003 Å
α	86.1854 ± 0.0013°
β	79.7696 ± 0.0015°
γ	72.5303 ± 0.0015°
Cell volume	5683.78 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0929
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for all reflections	0.225
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	0.9274
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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