Crystallography Open Database

Information card for entry 4502047

4502046 << 4502047 >> 4502048

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Coordinates	4502047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34 Ce N13 O16
Calculated formula	C42 H34 Ce N13 O16
Title of publication	Versatile Molecular Recognition Features of Tetra(3-pyridyl)porphyrin in Crystal Engineering
Authors of publication	Lipstman, Sophia; Goldberg, Israel
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4596
a	16.951 ± 0.0003 Å
b	20.6689 ± 0.0004 Å
c	14.9251 ± 0.0003 Å
α	90°
β	102.671 ± 0.0009°
γ	90°
Cell volume	5101.78 ± 0.17 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1612
Weighted residual factors for all reflections included in the refinement	0.1722
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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