Crystallography Open Database

Information card for entry 7035493

Preview

Coordinates	7035493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H54 N2 O2 Zn2
Calculated formula	C40 H54 N2 O2 Zn2
SMILES	[Zn]12([O](c3c(ccc4c3cccc4)C[N]1(C)C1CCCCC1)[Zn]1([O]2c2c(ccc3c2cccc3)C[N]1(C)C1CCCCC1)CC)CC
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	15.727 ± 0.009 Å
b	13.996 ± 0.007 Å
c	15.894 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	3499 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1202
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	0.894
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
153150 (current)	2015-08-08	cif/ Updating files of 7035492, 7035493, 7035494 Original log message: Adding full bibliography for 7035492--7035494.cif.	7035493.cif
139456	2015-06-20	cif/ Adding structures of 7035492, 7035493, 7035494 via cif-deposit CGI script.	7035493.cif