Crystallography Open Database

Information card for entry 7701057

Preview

Coordinates	7701057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42.4 Fe N2 O5.3
Calculated formula	C30 H41.4 Fe N2 O5.3
Title of publication	The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.
Authors of publication	Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	40
Pages of publication	15049 - 15058
a	10.2477 ± 0.0001 Å
b	10.2477 ± 0.0001 Å
c	28.1421 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2955.35 ± 0.07 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
224242 (current)	2019-11-08	cif/ Updating files of 7701052, 7701053, 7701054, 7701055, 7701056, 7701057, 7701058, 7701059 Original log message: Adding full bibliography for 7701052--7701059.cif.	7701057.cif
218056	2019-09-07	cif/ Adding structures of 7701052, 7701053, 7701054, 7701055, 7701056, 7701057, 7701058, 7701059 via cif-deposit CGI script.	7701057.cif