Crystallography Open Database

Information card for entry 4113894

Preview

Coordinates	4113894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 Ag2 F6 N8 O6 S2
Calculated formula	C53.8 H52 Ag2 F5.4 N8 O6.6 S2.2
Title of publication	Ligand-Directed Molecular Architectures: Self-Assembly of Two-Dimensional Rectangular Metallacycles and Three-Dimensional Trigonal or Tetragonal Prisms
Authors of publication	Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Mark D. Smith; Wolfgang Kaim; Hans-Conrad zur Loye
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	8595 - 8613
a	9.1423 ± 0.0006 Å
b	11.4306 ± 0.0008 Å
c	15.1363 ± 0.001 Å
α	73.591 ± 0.001°
β	75.077 ± 0.001°
γ	74.325 ± 0.001°
Cell volume	1432.53 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.076
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
178909 (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 4/11/38.	4113894.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113894.cif
67168	2012-09-19	cif/ Adding structures of 4113894 via cif-deposit CGI script.	4113894.cif