Crystallography Open Database

Information card for entry 4117017

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Coordinates	4117017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H65 N11 O8
Calculated formula	C93 H65 N11 O8
Title of publication	Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins
Authors of publication	P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick
Journal of publication	Journal of the American Chemical Society
Year of publication	1997
Journal volume	119
Pages of publication	8492 - 8502
a	11.105 ± 0.004 Å
b	25.744 ± 0.007 Å
c	14.022 ± 0.003 Å
α	90°
β	108.09 ± 0.02°
γ	90°
Cell volume	3811 ± 2 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1841
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for all reflections	0.1755
Weighted residual factors for significantly intense reflections	0.1305
Goodness-of-fit parameter for all reflections	1.06
Goodness-of-fit parameter for significantly intense reflections	1.164
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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