Crystallography Open Database

Information card for entry 4107421

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Coordinates	4107421.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(TPP)GaCH3
Formula	C45 H31 Ga N4
Calculated formula	C45 H31.12 Ga N4
Title of publication	Hydrogen Peroxide: A Poor Ligand to Gallium Tetraphenylporphyrin
Authors of publication	Antonio G. DiPasquale; James M. Mayer
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1812 - 1813
a	13.536 ± 0.002 Å
b	13.536 ± 0.002 Å
c	9.6581 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1769.6 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1143
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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