Crystallography Open Database

Information card for entry 7031773

Preview

Coordinates	7031773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H102 N2 O14 W2
Calculated formula	C76 H99 N O14 W2
Title of publication	Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone.
Authors of publication	Li, Yuanzhuo; Zhao, Ke-Qing; Feng, Chun; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Redshaw, Carl
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	36
Pages of publication	13612 - 13619
a	42.531 ± 0.006 Å
b	14.431 ± 0.002 Å
c	25.556 ± 0.004 Å
α	90°
β	101.441 ± 0.0017°
γ	90°
Cell volume	15374 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.1962
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	1.222
Diffraction radiation wavelength	0.671 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180023 (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 7/03/17.	7031773.cif
123457	2014-09-08	cif/ Updating files of 7031769, 7031770, 7031771, 7031772, 7031773 Original log message: Adding full bibliography for 7031769--7031773.cif.	7031773.cif
120870	2014-07-29	cif/ Adding structures of 7031769, 7031770, 7031771, 7031772, 7031773 via cif-deposit CGI script.	7031773.cif