Crystallography Open Database

Information card for entry 4121532

Preview

Coordinates	4121532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H139.75 N45.5 O72 Pd6
Calculated formula	C112 H120 N45.5 O72 Pd6
Title of publication	Mutual induced fit in a synthetic host-guest system.
Authors of publication	Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	12
Pages of publication	4449 - 4451
a	24.24 ± 0.004 Å
b	29.125 ± 0.005 Å
c	24.225 ± 0.004 Å
α	90°
β	91.047 ± 0.002°
γ	90°
Cell volume	17100 ± 5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.203
Residual factor for significantly intense reflections	0.1058
Weighted residual factors for significantly intense reflections	0.2857
Weighted residual factors for all reflections included in the refinement	0.3327
Goodness-of-fit parameter for all reflections included in the refinement	1.274
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4121532.cif
108224	2014-03-29	cif/ Adding structures of 4121532 via cif-deposit CGI script.	4121532.cif