Crystallography Open Database

Information card for entry 4121533

Preview

Coordinates	4121533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H202.17 N51 O65.5 Pd8
Calculated formula	C148 H184 N51 O65.5 Pd8
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	20.2126 ± 0.0014 Å
b	20.2126 ± 0.0014 Å
c	45.41 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	16067 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.2232
Residual factor for significantly intense reflections	0.1362
Weighted residual factors for significantly intense reflections	0.3402
Weighted residual factors for all reflections included in the refinement	0.3944
Goodness-of-fit parameter for all reflections included in the refinement	1.253
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.	4121533.cif
108225	2014-03-29	cif/ Adding structures of 4121533 via cif-deposit CGI script.	4121533.cif