Crystallography Open Database

Information card for entry 7125059

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Coordinates	7125059.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(M20L8 octahedral capsule) - (1-naphtylsilanetriol) complex
Formula	C196 H357 N118.5 O119.5 Pd20 Si3
Calculated formula	C196 H262 N118.5 O119.5 Pd20 Si3
Title of publication	Capsule-bowl conversion triggered by a guest reaction.
Authors of publication	Wang, Shitao; Sawada, Tomohisa; Fujita, Makoto
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	78
Pages of publication	11653 - 11656
a	46.603 ± 0.006 Å
b	25.734 ± 0.003 Å
c	37.303 ± 0.005 Å
α	90°
β	113.398 ± 0.003°
γ	90°
Cell volume	41058 ± 9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.3022
Residual factor for significantly intense reflections	0.2071
Weighted residual factors for significantly intense reflections	0.4916
Weighted residual factors for all reflections included in the refinement	0.5805
Goodness-of-fit parameter for all reflections included in the refinement	1.836
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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