Crystallography Open Database

Information card for entry 4334330

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Structure parameters

Formula	C48 H64 Br2 Li Mn N O3 Si
Calculated formula	C48 H64 Br2 Li Mn N O3 Si
Title of publication	Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems
Authors of publication	Jamie Hicks; Cameron Jones
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3900 - 3907
a	12.4034 ± 0.0006 Å
b	29.075 ± 0.0015 Å
c	13.7895 ± 0.0007 Å
α	90°
β	99.485 ± 0.003°
γ	90°
Cell volume	4904.9 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334330.cif
179446	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/43.	4334330.cif
100148	2014-02-04	cif/ Adding structures of 4334330 via cif-deposit CGI script.	4334330.cif