Crystallography Open Database

Information card for entry 7005395

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Coordinates	7005395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H63 Cl3 N8 O11 Zn
Calculated formula	C63 H63 Cl3 N8 O11 Zn
Title of publication	Coordination and structural studies of crowned-porphyrins.
Authors of publication	Halime, Zakaria; Lachkar, Mohammed; Toupet, Loïc; Coutsolelos, Athanassios G.; Boitrel, Bernard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	33
Pages of publication	3684 - 3689
a	23.755 ± 0.001 Å
b	8.6928 ± 0.0004 Å
c	30.912 ± 0.001 Å
α	90°
β	108.134 ± 0.001°
γ	90°
Cell volume	6066.2 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	0.861
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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