Crystallography Open Database

Information card for entry 7044047

Preview

Coordinates	7044047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H76 Mg2 O10
Calculated formula	C46 H76 Mg2 O10
Title of publication	Mono-BHT heteroleptic magnesium complexes: synthesis, molecular structure and catalytic behavior in the ring-opening polymerization of cyclic esters
Authors of publication	Nifant'ev, Ilya E.; Shlyahtin, Andrei V.; Bagrov, Vladimir V.; Minyaev, Mikhail M.; Churakov, Andrei; Karchevsky, Stanislav G.; Birin, Kirill P.; Ivchenko, Pavel V.
Journal of publication	Dalton Trans.
Year of publication	2017
a	22.1915 ± 0.0012 Å
b	9.8778 ± 0.0006 Å
c	26.2892 ± 0.0015 Å
α	90°
β	91.322 ± 0.001°
γ	90°
Cell volume	5761.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.08
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
199999 (current)	2017-08-30	cif/ Adding structures of 7044040, 7044041, 7044042, 7044043, 7044044, 7044045, 7044046, 7044047 via cif-deposit CGI script.	7044047.cif