Crystallography Open Database

Information card for entry 4113899

Preview

Coordinates	4113899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68.5 H65.5 Ag3 Cl3 N13 O12.75
Calculated formula	C68.5 H65 Ag3 Cl3 N13 O12.75
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	28.108 ± 0.003 Å
b	28.108 ± 0.003 Å
c	18.335 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	14486 ± 3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.2278
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1573
Weighted residual factors for all reflections included in the refinement	0.2091
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4113899.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113899.cif
67173	2012-09-19	cif/ Adding structures of 4113899 via cif-deposit CGI script.	4113899.cif