Crystallography Open Database

Information card for entry 4106469

Preview

Coordinates	4106469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C213.5 H160 N12 O47 Pd2
Calculated formula	C213.5 H160 N12 O47 Pd2
Title of publication	An M2L4 Molecular Capsule with an Anthracene Shell: Encapsulation of Large Guests up to 1 nm
Authors of publication	Norifumi Kishi; Zhiou Li; Kenji Yoza; Munetaka Akita; Michito Yoshizawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	11438 - 11441
a	20.323 ± 0.002 Å
b	23.546 ± 0.002 Å
c	24.072 ± 0.002 Å
α	88.798 ± 0.002°
β	69.662 ± 0.001°
γ	81.041 ± 0.001°
Cell volume	10662.3 ± 1.6 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.1412
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.2877
Weighted residual factors for all reflections included in the refinement	0.3252
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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.	4106469.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106469.cif
53270	2012-04-19	cif/ Adding structures of 4106469 via cif-deposit CGI script.	4106469.cif