Crystallography Open Database

Information card for entry 7717510

Preview

Coordinates	7717510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 B F4 N4 O8 Rh
Calculated formula	C48 H52 B F4 N4 O8 Rh
Title of publication	Supramolecular bidentate rhodium(I) or iridium(I) phosphine and oxazoline amino acid bioconjugates as selective catalysts for enantioselective reactions.
Authors of publication	Bakija, Marija; Opačak, Saša; Perić, Berislav; Chakrabortty, Soumyadeep; Dell'Acqua, Andrea; Baráth, Eszter; de Vries, Johannes G.; Tin, Sergey; Kirin, Srećko I
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	3
Pages of publication	1021 - 1037
a	20.5437 ± 0.0004 Å
b	10.4027 ± 0.0004 Å
c	30.6083 ± 0.0009 Å
α	90°
β	106.71 ± 0.003°
γ	90°
Cell volume	6265.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298940 (current)	2025-04-05	cif/ Updating files of 7717510 Original log message: Adding full bibliography for 7717510.cif.	7717510.cif
295955	2024-11-16	cif/ Adding structures of 7717510 via cif-deposit CGI script.	7717510.cif