Crystallography Open Database

Information card for entry 7035492

Preview

Coordinates	7035492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H66 N2 O2 Zn2
Calculated formula	C40 H66 N2 O2 Zn2
SMILES	[N]1(Cc2c(ccc(c2)C(C)(C)C)[O]2[Zn]1([O]1c3c(cc(cc3)C(C)(C)C)C[N](C)(C3CCCCC3)[Zn]21CC)CC)(C)C1CCCCC1
Title of publication	Designing ancillary ligands for heteroleptic/homoleptic zinc complex formation: synthesis, structures and application in ROP of lactides.
Authors of publication	Jędrzkiewicz, D; Ejfler, J.; Gulia, N.; John, Ł; Szafert, S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	30
Pages of publication	13700 - 13715
a	15.827 ± 0.006 Å
b	12.689 ± 0.002 Å
c	20.032 ± 0.007 Å
α	90°
β	109.81 ± 0.03°
γ	90°
Cell volume	3785 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0503
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
153150 (current)	2015-08-08	cif/ Updating files of 7035492, 7035493, 7035494 Original log message: Adding full bibliography for 7035492--7035494.cif.	7035492.cif
139456	2015-06-20	cif/ Adding structures of 7035492, 7035493, 7035494 via cif-deposit CGI script.	7035492.cif