Crystallography Open Database

Information card for entry 4107717

Preview

Coordinates	4107717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.75 H49 Fe Ga I2 P2
Calculated formula	C44.75 H49 Fe Ga I2 P2
Title of publication	A Group 13/Group 17 Analogue of CO and N2: Coordinative Trapping of the GaI Molecule
Authors of publication	Natalie D. Coombs; William Clegg; Amber L. Thompson; David J. Willock; Simon Aldridge
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5449 - 5451
a	11.0237 ± 0.0002 Å
b	19.0641 ± 0.0003 Å
c	22.2038 ± 0.0004 Å
α	109.44 ± 0.001°
β	95.792 ± 0.001°
γ	90.752 ± 0.001°
Cell volume	4372.37 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.139
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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