Crystallography Open Database

Information card for entry 1507062

Preview

Coordinates	1507062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H169.93 Cl4 N4 Pd4.04 S8
Calculated formula	C160 H169.926 Cl4 N4 Pd4.037 S8
Title of publication	Pincer-porphyrin hybrids.
Authors of publication	Suijkerbuijk, Bart M. J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	18
Pages of publication	3023 - 3026
a	15.0209 ± 0.0002 Å
b	17.1924 ± 0.0002 Å
c	17.7209 ± 0.0003 Å
α	68.0524 ± 0.0007°
β	86.0962 ± 0.0007°
γ	89.2137 ± 0.0007°
Cell volume	4234.49 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0918
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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