Crystallography Open Database

Information card for entry 4304924

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Coordinates	4304924.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(2Pypo)4(2PypoH)2Ga8Cl12(thf)2(OH2)4](NO3)2 . 9(thf)
Formula	C74 H122 Cl12 Ga8 N8 O39 P6
Calculated formula	C74 H122 Cl12 Ga8 N8 O39 P6
Title of publication	Convenient Synthesis of Aluminum and Gallium Phosphonate Cages
Authors of publication	Christian R. Samanamu; Marilyn M. Olmstead; Jean-Luc Montchamp; Anne F. Richards
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3879 - 3887
a	13.2856 ± 0.001 Å
b	15.3643 ± 0.0012 Å
c	16.983 ± 0.0013 Å
α	69.137 ± 0.001°
β	79.289 ± 0.001°
γ	65.062 ± 0.001°
Cell volume	2934.7 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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