Crystallography Open Database

Information card for entry 7134130

Preview

Coordinates	7134130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H47 F3 Mn N2 O5 P S
Calculated formula	C49 H47 F3 Mn N2 O5 P S
Title of publication	Pushing the limits of electron donation for <i>cis</i>-chelating ligands <i>via</i> an alliance of phosphonium ylide and anionic abnormal NHC.
Authors of publication	El Kadiri, Mustapha; Cherradi, Abdelhaq; Filippov, Oleg A.; Duhayon, Carine; César, Vincent; Shubina, Elena S.; Lahcini, Mohammed; Valyaev, Dmitry A.; Canac, Yves
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	13
Pages of publication	2778 - 2781
a	30.637 ± 0.0002 Å
b	8.0802 ± 0.0001 Å
c	35.4557 ± 0.0003 Å
α	90°
β	93.047 ± 0.001°
γ	90°
Cell volume	8764.76 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
298039 (current)	2025-03-04	cif/ Updating files of 7134129, 7134130 Original log message: Adding full bibliography for 7134129--7134130.cif.	7134130.cif
297189	2025-01-08	cif/ Adding structures of 7134129, 7134130 via cif-deposit CGI script.	7134130.cif