Crystallography Open Database

Information card for entry 7045053

Preview

Coordinates	7045053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H39 N5 Ni0.5 O5
Calculated formula	C43 H39 N5 Ni0.5 O5
Title of publication	Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.
Authors of publication	Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	3
Pages of publication	783 - 790
a	12.444 ± 0.0001 Å
b	13.0297 ± 0.0001 Å
c	23.3004 ± 0.0002 Å
α	90°
β	97.776 ± 0.0009°
γ	90°
Cell volume	3743.22 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0426
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for all reflections	0.1035
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7045053.html