Crystallography Open Database

Information card for entry 4333304

Preview

Coordinates	4333304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Cu4 I4 O6 S4
Calculated formula	C44 H52 Cu4 I4 O6 S4
Title of publication	Calix[4]bis(thiacrown): assembly of an endocyclic disilver(I) complex and exocyclic 3D copper(I) coordination polymers.
Authors of publication	Lee, Jai Young; Lee, So Young; Seo, Joobeom; Park, Chul Soon; Go, Jung Nam; Sim, Wonbo; Lee, Shim Sung
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6221 - 6223
a	20.2463 ± 0.0011 Å
b	19.9394 ± 0.0011 Å
c	24.988 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	10087.6 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1007
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
179436 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/33.	4333304.cif
116739	2014-06-13	cif/ Updating files of 4333302, 4333303, 4333304 Original log message: Adding full bibliography for 4333302--4333304.cif.	4333304.cif
98919	2014-01-30	cif/ Adding structures of 4333304 via cif-deposit CGI script.	4333304.cif