Crystallography Open Database

Information card for entry 7702282

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Structure parameters

Formula	C64 H84 Br8 Mg4 N4 O14
Calculated formula	C64 H84 Br8 Mg4 N4 O14
Title of publication	Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.
Authors of publication	Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	2
Pages of publication	375 - 387
a	14.691 ± 0.0013 Å
b	21.9463 ± 0.0018 Å
c	22.837 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	7362.9 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0927
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7702282.cif
247727	2020-02-04	cif/ Updating files of 7702280, 7702281, 7702282, 7702283 Original log message: Adding full bibliography for 7702280--7702283.cif.	7702282.cif
243806	2019-11-28	cif/ Adding structures of 7702280, 7702281, 7702282, 7702283 via cif-deposit CGI script.	7702282.cif