Crystallography Open Database

Information card for entry 7701052

Preview

Coordinates	7701052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H59 Fe N2 O5
Calculated formula	C37 H59 Fe N2 O5
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	11.3237 ± 0.0002 Å
b	17.5348 ± 0.0003 Å
c	19.325 ± 0.0004 Å
α	90°
β	102.572 ± 0.002°
γ	90°
Cell volume	3745.15 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.0608
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7701052.cif
218056	2019-09-07	cif/ Adding structures of 7701052, 7701053, 7701054, 7701055, 7701056, 7701057, 7701058, 7701059 via cif-deposit CGI script.	7701052.cif