Crystallography Open Database

Information card for entry 7718982

Preview

Coordinates	7718982.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(triphenylphosphine)-[7-acetoxy-5-oxido-2-(4-acetoxyphenyl)-4H-1-benzopyran-4-onato]-dichlorido-oxido-rhenium(V)
Formula	C38 H29 Cl5 O8 P Re
Calculated formula	C38.0002 H29.0002 Cl5.0006 O8 P Re
Title of publication	Oxidorhenium(V) complexes of apigenin: a rare example of catalysis with <i>O</i>,<i>O</i>-bidentate ligands obtained from a naturally renewable resource.
Authors of publication	Milovanović, Milan R; Nikolić, Stefan R; Dupé, Antoine; Schachner, Jörg A; Mihajlović, Ljiljana E
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	28
Pages of publication	11047 - 11055
a	9.4722 ± 0.0004 Å
b	21.1056 ± 0.001 Å
c	21.4236 ± 0.001 Å
α	109.16 ± 0.001°
β	91.394 ± 0.001°
γ	101.328 ± 0.001°
Cell volume	3948.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0269
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301587 (current)	2025-08-06	cif/ Updating files of 7718978, 7718979, 7718980, 7718981, 7718982 Original log message: Adding full bibliography for 7718978--7718982.cif.	7718982.cif
300296	2025-07-03	cif/ Adding structures of 7718978, 7718979, 7718980, 7718981, 7718982 via cif-deposit CGI script.	7718982.cif