Crystallography Open Database

Information card for entry 4114046

Preview

Coordinates	4114046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H110 I3 O0.5 P6 Pt3
Calculated formula	C57.9 H109.8 I3 O0.5 P6 Pt3
Title of publication	Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms
Authors of publication	Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9647 - 9652
a	17.2666 ± 0.0003 Å
b	22.805 ± 0.0004 Å
c	19.3648 ± 0.0002 Å
α	90°
β	104.291 ± 0.001°
γ	90°
Cell volume	7389.2 ± 0.2 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4114046.html