Crystallography Open Database

Information card for entry 4507443

Preview

Coordinates	4507443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Cu5 I3 N8 S4 W
Calculated formula	C28 H44 Cu5 I3 N8 S4 W
Title of publication	Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand
Authors of publication	Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	1023
a	10.4014 ± 0.0002 Å
b	16.5049 ± 0.0003 Å
c	12.6499 ± 0.0002 Å
α	90°
β	92.9894 ± 0.0017°
γ	90°
Cell volume	2168.7 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179610 (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 4/50/74.	4507443.cif
85512	2013-05-07	cif/ Adding structures of 4507443, 4507444, 4507445 via cif-deposit CGI script.	4507443.cif