Crystallography Open Database

Information card for entry 7113511

Preview

Coordinates	7113511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H174 Br4 N48 O73 Pd8
Calculated formula	C114 H128 Br4 N46 O64.5 Pd8
Title of publication	Side chain-directed assembly of triangular molecular panels into a tetrahedron vs. open cone
Authors of publication	Yoshizawa, Michito; Nagao, Muneki; Umemoto, Kazuhiko; Biradha, Kumar; Fujita, Makoto; Sakamoto, Shigeru; Yamaguchi, Kentaro
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	15
Pages of publication	1808 - 1809
a	31.439 ± 0.004 Å
b	44.137 ± 0.006 Å
c	27.987 ± 0.004 Å
α	90°
β	107.253 ± 0.003°
γ	90°
Cell volume	37088 ± 9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.3216
Residual factor for significantly intense reflections	0.1073
Weighted residual factors for significantly intense reflections	0.2412
Weighted residual factors for all reflections included in the refinement	0.2806
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103824
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209673 (current)	2018-08-14	cif/7/ Updating bibliography in entries 7103824, 7113511. Marking entry 7113511 as a duplicate of entry 7103824.	7113511.cif
180249	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113511.cif
115100	2014-06-02	cif/ Adding structures of 7113511 via cif-deposit CGI script.	7113511.cif