Crystallography Open Database

Information card for entry 4024800

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Coordinates	4024800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H80 F18 N9 O11 P3 Pd
Calculated formula	C62 H80 F18 N9 O11 P3 Pd
Title of publication	Expanding the Cavity Size: Preparation of 2:1 Inclusion Complexes Based on Dinuclear Square Metallocycles
Authors of publication	Víctor Blanco; Albert Gutiérrez; Carlos Platas-Iglesias; Carlos Peinador; José M. Quintela
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	6577 - 6583
a	11.98 ± 0.005 Å
b	16.281 ± 0.005 Å
c	20.727 ± 0.005 Å
α	79.839 ± 0.005°
β	84.983 ± 0.005°
γ	68.931 ± 0.005°
Cell volume	3712 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1341
Residual factor for significantly intense reflections	0.1013
Weighted residual factors for significantly intense reflections	0.2568
Weighted residual factors for all reflections included in the refinement	0.2773
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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