Crystallography Open Database

Information card for entry 4334056

Preview

Coordinates	4334056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H104 Cd6 Cl2 N12 O15 S12
Calculated formula	C68 H104.04 Cd6 Cl2 N12 O15 S12
Title of publication	Carbonate-Templated Self-Assembly of an Alkylthiolate-Bridged Cadmium Macrocycle
Authors of publication	Wei Lai; Steven M. Berry; William P. Kaplan; Malia S. Hain; John C. Poutsma; Raymond J. Butcher; Robert D. Pike; Deborah C. Bebout
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2286 - 2288
a	13.181 ± 0.01 Å
b	13.181 ± 0.01 Å
c	43.83 ± 0.06 Å
α	90°
β	90°
γ	120°
Cell volume	6595 ± 11 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179443 (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 4/33/40.	4334056.cif
99866	2014-02-03	cif/ Adding structures of 4334056 via cif-deposit CGI script.	4334056.cif