Crystallography Open Database

Information card for entry 4506392

Preview

Coordinates	4506392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H52 N12 Ni3 O16 S2
Calculated formula	C76 H52 N12 Ni3 O16 S2
Title of publication	Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies
Authors of publication	Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3758
a	9.393 ± 0.002 Å
b	13.33 ± 0.003 Å
c	14.569 ± 0.004 Å
α	80.389 ± 0.019°
β	73.261 ± 0.017°
γ	83.787 ± 0.018°
Cell volume	1718.9 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1687
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1917
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation probe	x-ray
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
179599 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/63.	4506392.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506392.cif
62266	2012-07-07	cif/ Adding structures of 4506392 via cif-deposit CGI script.	4506392.cif