Crystallography Open Database

Information card for entry 4502044

4502043 << 4502044 >> 4502045

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Coordinates	4502044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H112 Cl10 Mn7 N32 O2
Calculated formula	C168 H112 Cl10 Mn7 N32 O2
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	22.72 ± 0.0003 Å
b	26.471 ± 0.0004 Å
c	26.682 ± 0.0006 Å
α	90 ± 0.0017°
β	90.05 ± 0.0016°
γ	90 ± 0.0006°
Cell volume	16047.1 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.1541
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.1969
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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