Crystallography Open Database

Information card for entry 2020834

2020833 << 2020834 >> 2020835

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Structure parameters

Chemical name	Tricarbonyl[(1',2',3',4',5',6'-η)-4-fluoro-1,1'-biphenyl]chromium(0)
Formula	C15 H9 Cr F O3
Calculated formula	C15 H9 Cr F O3
SMILES	[Cr]12345([c]6([cH]1[cH]2[cH]3[cH]4[cH]56)c1ccc(F)cc1)(C#[O])(C#[O])C#[O]
Title of publication	Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Authors of publication	Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	8
a	7.0616 ± 0.0005 Å
b	28.3503 ± 0.0019 Å
c	7.0571 ± 0.0004 Å
α	90°
β	114.324 ± 0.005°
γ	90°
Cell volume	1287.41 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199383 (current)	2017-07-28	cif/ hkl/ Adding structures of 2020833, 2020834, 2020835, 2020836 via cif-deposit CGI script.	2020834.cif 2020834.hkl