Crystallography Open Database

Information card for entry 7052323

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Coordinates	7052323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H54 Cd2 Cl6 Cu2 I4 N12
Calculated formula	C86 H54 Cd2 Cl6 Cu2 I4 N12
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	9.7586 ± 0.0005 Å
b	12.4722 ± 0.0005 Å
c	17.6672 ± 0.0007 Å
α	87.06 ± 0.002°
β	75.477 ± 0.002°
γ	85.986 ± 0.002°
Cell volume	2075.21 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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