Crystallography Open Database

Information card for entry 4116563

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Coordinates	4116563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H60 Ga K N2 O8
Calculated formula	C30 H60 Ga K N2 O8
Title of publication	A Carbene Analogue with Low-Valent Gallium as a Heteroatom in a quasi-Aromatic Imidazolate Anion
Authors of publication	Eva S. Schmidt; Alexander Jockisch; Hubert Schmidbaur
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	9758 - 9759
a	9.718 ± 0.002 Å
b	10.116 ± 0.002 Å
c	10.318 ± 0.002 Å
α	77.67 ± 0.02°
β	69.64 ± 0.02°
γ	88.51 ± 0.02°
Cell volume	927.7 ± 0.4 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178936 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/65.	4116563.cif
72689	2013-01-26	cif/ Adding structures of 4116563 via cif-deposit CGI script.	4116563.cif