Crystallography Open Database

Information card for entry 4106468

Preview

Coordinates	4106468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C236 H192.5 N12 O37 Pd2
Calculated formula	C236 H192.5 N12 O37 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	33.515 ± 0.005 Å
b	18.955 ± 0.003 Å
c	30.323 ± 0.005 Å
α	90°
β	92.511 ± 0.002°
γ	90°
Cell volume	19245 ± 5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.1732
Residual factor for significantly intense reflections	0.1042
Weighted residual factors for significantly intense reflections	0.2645
Weighted residual factors for all reflections included in the refinement	0.3002
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
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.	4106468.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106468.cif
53269	2012-04-19	cif/ Adding structures of 4106468 via cif-deposit CGI script.	4106468.cif