Crystallography Open Database

Information card for entry 4073374

Preview

Coordinates	4073374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H57 Ga N2 Ni
Calculated formula	C45 H57 Ga N2 Ni
SMILES	[Ga]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Ni]12([CH2]=[CH]1c1ccccc1)[CH2]=[CH]2c1ccccc1
Title of publication	Nickel Olefin Complexes Supported by GaI(DDP)†
Authors of publication	Kempter, Andreas; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	17
Pages of publication	4257
a	9.917 ± 0.007 Å
b	19.531 ± 0.013 Å
c	21.161 ± 0.012 Å
α	80.32 ± 0.05°
β	83.78 ± 0.05°
γ	88.8 ± 0.05°
Cell volume	4016 ± 5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2866
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	0.644
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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