Crystallography Open Database

Information card for entry 7052320

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Coordinates	7052320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H62 I4 N12 O3 Zn4
Calculated formula	C86 H52 I4 N12 O3 Zn4
Title of publication	Porphyrin based metallamacrocycles
Authors of publication	Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	9
Pages of publication	1289
a	9.6797 ± 0.0003 Å
b	12.6462 ± 0.0004 Å
c	17.6494 ± 0.0006 Å
α	87.281 ± 0.002°
β	75.648 ± 0.002°
γ	87.824 ± 0.002°
Cell volume	2089.94 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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