Crystallography Open Database

Information card for entry 4115958

Preview

Coordinates	4115958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H124 N48 O36 Pd6
Calculated formula	C157 N39 O19 Pd6
Title of publication	Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules
Authors of publication	Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	2665 - 2666
a	21.048 ± 0.011 Å
b	21.23 ± 0.011 Å
c	24.507 ± 0.012 Å
α	83.098 ± 0.011°
β	73.547 ± 0.011°
γ	74.541 ± 0.011°
Cell volume	10111 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2747
Residual factor for significantly intense reflections	0.118
Weighted residual factors for significantly intense reflections	0.3124
Weighted residual factors for all reflections included in the refinement	0.3513
Goodness-of-fit parameter for all reflections included in the refinement	1.374
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178930 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/59.	4115958.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115958.cif
70522	2012-12-26	cif/ Adding structures of 4115958 via cif-deposit CGI script.	4115958.cif