Crystallography Open Database

Information card for entry 4502046

4502045 << 4502046 >> 4502047

Preview

Coordinates	4502046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 N18 O34 Yb2
Calculated formula	C40 H38 N18 O34 Yb1.9996
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	6.6976 ± 0.0002 Å
b	13.0975 ± 0.0004 Å
c	17.5794 ± 0.0005 Å
α	68.2356 ± 0.0013°
β	80.2043 ± 0.0014°
γ	83.374 ± 0.002°
Cell volume	1408.98 ± 0.07 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4502046.html