Crystallography Open Database

Information card for entry 4113898

Preview

Coordinates	4113898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H65 Ag3 B3 F12 N13 O
Calculated formula	C68 H60 Ag3 B3 F12 N13 O
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	27.824 ± 0.004 Å
b	27.824 ± 0.004 Å
c	18.108 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	14019 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.145
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.2331
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	4113898.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113898.cif
67172	2012-09-19	cif/ Adding structures of 4113898 via cif-deposit CGI script.	4113898.cif