Crystallography Open Database

Information card for entry 4107716

Preview

Coordinates	4107716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H51 B F24 Fe Ga I P2
Calculated formula	C67.408 H50.778 B0.9815 F23.5575 Fe Ga I1.0185 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	12.5823 ± 0.0014 Å
b	14.2036 ± 0.0016 Å
c	19.828 ± 0.002 Å
α	83.4582 ± 0.0013°
β	73.2027 ± 0.0014°
γ	86.7306 ± 0.0014°
Cell volume	3369.2 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.671 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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