Crystallography Open Database

Information card for entry 4332232

Preview

Coordinates	4332232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H96 Ga2 Mg N4 O3
Calculated formula	C64 H96 Ga2 Mg N4 O3
SMILES	[Ga]1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Mg]([Ga]1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Synthesis, Structural Characterization, and Theoretical Studies of Complexes of Magnesium and Calcium with Gallium Heterocycles
Authors of publication	Jones, Cameron; Mills, David P.; Platts, Jamie A.; Rose, Richard P.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	8
Pages of publication	3146 - 3148
a	18.143 ± 0.004 Å
b	18.443 ± 0.004 Å
c	18.906 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6326 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179425 (current)	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 4/33/22.	4332232.cif
98173	2014-01-29	cif/ Adding structures of 4332232 via cif-deposit CGI script.	4332232.cif