Crystallography Open Database

Information card for entry 7714924

Preview

Coordinates	7714924.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DB-557
Formula	C26 H16 Cr F3 O7 P
Calculated formula	C26 H16 Cr F3 O7 P
SMILES	[Cr]([PH](OC(=O)C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Access to ligand-stabilized PH-containing phosphenium complexes.
Authors of publication	Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	6
Pages of publication	2517 - 2525
a	11.7074 ± 0.0011 Å
b	10.9879 ± 0.0009 Å
c	19.4438 ± 0.0023 Å
α	90°
β	95.019 ± 0.008°
γ	90°
Cell volume	2491.7 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0433
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290176 (current)	2024-03-04	cif/ Updating files of 7714921, 7714922, 7714923, 7714924, 7714925, 7714926, 7714927, 7714928 Original log message: Adding full bibliography for 7714921--7714928.cif.	7714924.cif
288706	2024-01-06	cif/ Adding structures of 7714921, 7714922, 7714923, 7714924, 7714925, 7714926, 7714927, 7714928 via cif-deposit CGI script.	7714924.cif