Crystallography Open Database

Information card for entry 4341566

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Structure parameters

Formula	C144.3 H126.3 Cl6.9 N4
Calculated formula	C144.3 H126.3 Cl6.9 N4
Title of publication	Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.
Authors of publication	Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10543 - 10552
a	14.8918 ± 0.0002 Å
b	22.3244 ± 0.0004 Å
c	18.9375 ± 0.0003 Å
α	90°
β	109.159 ± 0.001°
γ	90°
Cell volume	5947.07 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.1912
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341566.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341566.cif
126720	2014-11-10	cif/ Adding structures of 4341566, 4341567, 4341568, 4341569, 4341570, 4341571, 4341572, 4341573, 4341574 via cif-deposit CGI script.	4341566.cif