Crystallography Open Database

Information card for entry 4114026

Preview

Coordinates	4114026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117.75 H88 B2 F39.5 N24.5 O46.63 Pd6 S10.5
Calculated formula	C118.15 H88 B2 F39.5 N24.5 O46.8 Pd6 S10.5
Title of publication	A Cationic Guest in a 24+ Cationic Host
Authors of publication	Jean-Pascal Bourgeois; Makoto Fujita; Masaki Kawano; Shigeru Sakamoto; Kentaro Yamaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9260 - 9261
a	39.3 ± 0.006 Å
b	37.74 ± 0.006 Å
c	25.965 ± 0.004 Å
α	90°
β	104.308 ± 0.003°
γ	90°
Cell volume	37316 ± 10 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2531
Residual factor for significantly intense reflections	0.1087
Weighted residual factors for significantly intense reflections	0.2922
Weighted residual factors for all reflections included in the refinement	0.3994
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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