Crystallography Open Database

Information card for entry 7050227

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Coordinates	7050227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H39.1 Mn N5 O11.55
Calculated formula	C48 H24 Mn N4 O10.55
Title of publication	Self-assembly patterns of porphyrins in crystals. Structures of hydrogen-bonding and coordination polymers of manganese tetra(carboxyphenyl)porphyrin
Authors of publication	Shmilovits, Michaela; Vinodu, Mikki; Goldberg, Israel
Journal of publication	New Journal of Chemistry
Year of publication	2004
Journal volume	28
Journal issue	2
Pages of publication	223
a	13.691 ± 0.0005 Å
b	8.744 ± 0.0003 Å
c	20.593 ± 0.0006 Å
α	90°
β	91.695 ± 0.002°
γ	90°
Cell volume	2464.19 ± 0.14 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1773
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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