Crystallography Open Database

Information card for entry 4335293

Preview

Coordinates	4335293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H60 Ga2 N4 O3
Calculated formula	C46 H60 Ga2 N4 O3
SMILES	CC1=[N](c2c(cc(cc2C)C)C)[Ga](O[Ga]2([N](=C(C)C=C(C)N2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)O)(N(C(=C1)C)c1c(cc(cc1C)C)C)O
Title of publication	A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds
Authors of publication	Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6944 - 6950
a	20.1713 ± 0.0007 Å
b	48.0892 ± 0.0016 Å
c	8.9712 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8702.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0155
Residual factor for significantly intense reflections	0.0153
Weighted residual factors for significantly intense reflections	0.0415
Weighted residual factors for all reflections included in the refinement	0.0416
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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