Crystallography Open Database

Information card for entry 1520584

1520583 << 1520584 >> 1520585

Preview

Coordinates	1520584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Hf N2 O4
Calculated formula	C32 H48 Hf N2 O4
SMILES	[Hf]123(OC(C)C)(OC(C)C)Oc4c(cc(cc4C)C)C[N]42CCC[C@H]4[C@@H]2[N]3(CCC2)Cc2cc(cc(c2O1)C)C
Title of publication	Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide
Authors of publication	Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	8
Pages of publication	5034
a	14.0484 ± 0.0001 Å
b	13.4118 ± 0.0001 Å
c	16.8344 ± 0.0001 Å
α	90°
β	101.404 ± 0.001°
γ	90°
Cell volume	3109.22 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
153075 (current)	2015-08-08	cif/ Updating files of 1520580, 1520581, 1520582, 1520583, 1520584, 1520585, 1520586, 1520587, 1520588 Original log message: Adding full bibliography for 1520580--1520588.cif.	1520584.cif
139371	2015-06-19	cif/ Adding structures of 1520580, 1520581, 1520582, 1520583, 1520584, 1520585, 1520586, 1520587, 1520588 via cif-deposit CGI script.	1520584.cif