Crystallography Open Database

Information card for entry 4331560

Preview

Coordinates	4331560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H132 Ag6 F18 N12 O43 S6
Calculated formula	C92 H132 Ag6 F18 N12 O43 S6
Title of publication	Crown Bowl: Metallocyclophane by Self-Assembly of 4‘-Pyridylmethyl-Armed 12-Crown-4 Ethers with Ag+Ions
Authors of publication	Habata, Yoichi; Yamada, Sachiko; Osaka, Futoshi
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	987 - 991
a	12.6204 ± 0.001 Å
b	16.1678 ± 0.0013 Å
c	18.0139 ± 0.0014 Å
α	66.149 ± 0.001°
β	74.902 ± 0.002°
γ	70.12 ± 0.002°
Cell volume	3128.9 ± 0.4 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331560.cif
97704	2014-01-29	cif/ Adding structures of 4331560 via cif-deposit CGI script.	4331560.cif