Crystallography Open Database

Information card for entry 4113892

Preview

Coordinates	4113892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H48.5 Ag2 B2 F8 N9.5
Calculated formula	C51 H48 Ag2 B2 F8 N9.5
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	18.555 ± 0.003 Å
b	18.555 ± 0.003 Å
c	15.958 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5494.1 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.145
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2623
Weighted residual factors for all reflections included in the refinement	0.2933
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
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.	4113892.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113892.cif
67166	2012-09-19	cif/ Adding structures of 4113892 via cif-deposit CGI script.	4113892.cif