Crystallography Open Database

Information card for entry 4113693

Preview

Coordinates	4113693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H50 F12 N2 O2 Zn2
Calculated formula	C49 H50 F12 N2 O2 Zn2
SMILES	[Zn]12([O]3[Zn]([O]1C(c1ccc(C(F)(F)F)cc1)(c1ccc(cc1)C(F)(F)F)[C@H]1[NH]2CCC1)([NH]1[C@@H](CCC1)C3(c1ccc(cc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1)CC)CC.c1c(cccc1)C
Title of publication	Asymmetric Alternating Copolymerization of Cyclohexene Oxide and CO2 with Dimeric Zinc Complexes
Authors of publication	Koji Nakano; Kyoko Nozaki; Tamejiro Hiyama
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	5501 - 5510
a	14.5089 ± 0.0016 Å
b	14.6962 ± 0.0016 Å
c	22.214 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4736.6 ± 1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1398
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	0.632
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
178907 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/36.	4113693.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113693.cif
66963	2012-09-18	cif/ Adding structures of 4113693 via cif-deposit CGI script.	4113693.cif