Crystallography Open Database

Information card for entry 7032810

Preview

Coordinates	7032810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 O4 Zn2
Calculated formula	C52 H72 O4 Zn2
Title of publication	Zinc calixarene complexes for the ring opening polymerization of cyclic esters.
Authors of publication	Walton, Mark J.; Lancaster, Simon J.; Wright, Joseph A.; Elsegood, Mark R. J.; Redshaw, Carl
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	48
Pages of publication	18001 - 18009
a	12.4407 ± 0.0009 Å
b	13.4833 ± 0.0009 Å
c	24.1096 ± 0.0017 Å
α	90.508 ± 0.005°
β	100.609 ± 0.006°
γ	113.943 ± 0.007°
Cell volume	3617.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2098
Weighted residual factors for all reflections included in the refinement	0.2282
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180034 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28.	7032810.cif
128380	2014-12-06	cif/ Updating files of 7032809, 7032810, 7032811, 7032812 Original log message: Adding full bibliography for 7032809--7032812.cif.	7032810.cif
125446	2014-10-16	cif/ Adding structures of 7032809, 7032810, 7032811, 7032812 via cif-deposit CGI script.	7032810.cif