Crystallography Open Database

Information card for entry 4116188

Preview

Coordinates	4116188.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4
Formula	C126 H78 Cl0 N7 O7 P6 Pd2 Tl
Calculated formula	C125.76 H78 N7 O6.96 P6 Pd2 Tl
Title of publication	Synthesis and Characterization of Pd(0) and Pt(0) Metallocryptands Encapsulating Tl+ Ion
Authors of publication	Vincent J. Catalano; Byron L. Bennett; Renante L. Yson; Bruce C. Noll
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	10056 - 10062
a	19.3462 ± 0.0002 Å
b	19.3462 ± 0.0002 Å
c	51.7863 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	16785.6 ± 0.4 Å³
Cell temperature	138 ± 2 K
Ambient diffraction temperature	138 ± 2 K
Number of distinct elements	8
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1167
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.2356
Weighted residual factors for all reflections included in the refinement	0.2498
Goodness-of-fit parameter for all reflections included in the refinement	1.579
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
178932 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/61.	4116188.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116188.cif
70767	2013-01-04	cif/ Adding structures of 4116188 via cif-deposit CGI script.	4116188.cif