Crystallography Open Database

Information card for entry 7043007

Preview

Coordinates	7043007.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(hapto6-fluorene)tricarbonylchromium
Formula	C16 H10 Cr O3
Calculated formula	C16 H10 Cr O3
SMILES	[Cr]12345([c]67[c]5([cH]4[cH]3[cH]2[cH]17)c1ccccc1C6)(C#[O])(C#[O])C#[O]
Title of publication	Trans-Cis C-Pd-C Rearrangement in Hemichelates
Authors of publication	Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.291 ± 0.001 Å
b	10.275 ± 0.001 Å
c	15.137 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1289.5 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196777 (current)	2017-05-19	cif/ Adding structures of 7042999, 7043000, 7043001, 7043002, 7043003, 7043004, 7043005, 7043006, 7043007, 7043008 via cif-deposit CGI script.	7043007.cif