Crystallography Open Database

Information card for entry 7134146

Preview

Coordinates	7134146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H75 F18 Fe N11 P2
Calculated formula	C72 H75 F18 Fe N11 P2
Title of publication	Coordination-induced axial chirality controls the metal-centred configuration in a stereogenic-at-iron catalyst.
Authors of publication	Buchberger, Benedikt; Demirel, Nemrud; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	9
Pages of publication	1894 - 1897
a	12.8662 ± 0.0001 Å
b	15.8429 ± 0.0002 Å
c	20.5929 ± 0.0002 Å
α	70.328 ± 0.001°
β	85.434 ± 0.001°
γ	76.254 ± 0.001°
Cell volume	3839.41 ± 0.07 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	0.0419
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298056 (current)	2025-03-04	cif/ Updating files of 7134146, 7134147 Original log message: Adding full bibliography for 7134146--7134147.cif.	7134146.cif
297233	2025-01-09	cif/ Adding structures of 7134146, 7134147 via cif-deposit CGI script.	7134146.cif