Crystallography Open Database

Information card for entry 4113897

Preview

Coordinates	4113897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H116 Cl4 N16 Ni2 O10
Calculated formula	C100 H96 Cl4 N16 Ni2 O10
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	15.301 ± 0.002 Å
b	15.301 ± 0.002 Å
c	23.303 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5455.7 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.2125
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.1981
Weighted residual factors for all reflections included in the refinement	0.2398
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
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.	4113897.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113897.cif
67171	2012-09-19	cif/ Adding structures of 4113897 via cif-deposit CGI script.	4113897.cif