Crystallography Open Database

Information card for entry 7122724

Preview

Coordinates	7122724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111.8 H91.8 Cl0.4 N11.8 O4
Calculated formula	C111.8 H91.8 Cl0.4 N11.8 O4
Title of publication	A Mono-Metallic Pd(II)-Cage Featuring Two Different Polar Binding Sites
Authors of publication	Escobar, Luis; Villarón, David; Escudero, Eduardo Carmelo; Ballester, Pablo
Journal of publication	Chemical Communications
Year of publication	2018
a	11.0207 ± 0.0005 Å
b	17.8935 ± 0.0008 Å
c	22.7191 ± 0.0014 Å
α	86.923 ± 0.004°
β	86.608 ± 0.004°
γ	89.933 ± 0.004°
Cell volume	4465.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1927
Residual factor for significantly intense reflections	0.1621
Weighted residual factors for significantly intense reflections	0.3935
Weighted residual factors for all reflections included in the refinement	0.4017
Goodness-of-fit parameter for all reflections included in the refinement	2.539
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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