Crystallography Open Database

Information card for entry 4113900

Preview

Coordinates	4113900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H144 Cu10 I10 N24 O7
Calculated formula	C132 H120 Cu10 I10 N24 O7
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	16.935 ± 0.003 Å
b	17.165 ± 0.003 Å
c	30.625 ± 0.006 Å
α	101.72 ± 0.03°
β	102.94 ± 0.03°
γ	91.36 ± 0.03°
Cell volume	8473 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1108
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.2301
Weighted residual factors for all reflections included in the refinement	0.2471
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178910 (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 4/11/39.	4113900.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113900.cif
67175	2012-09-19	cif/ Adding structures of 4113900 via cif-deposit CGI script.	4113900.cif