Crystallography Open Database

Information card for entry 7129236

Preview

Coordinates	7129236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H59 Cl Fe N2 O2 P Rh
Calculated formula	C43 H59 Cl Fe N2 O2 P Rh
SMILES	[Rh]123(Cl)(=C4N([c]56[Fe]789%10%11%12%13([c]%14(N4CC(C)(C)C)[cH]7[cH]8[cH]9[cH]%10%14)[cH]5[cH]%11[cH]%12[c]6%13P(c4ccccc4)c4ccccc4)CC(C)(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.OC.OC
Title of publication	Planar-chiral 1,1’-diaminoferrocenes
Authors of publication	Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich
Journal of publication	Chemical Communications
Year of publication	2021
a	12.726 ± 0.002 Å
b	12.903 ± 0.003 Å
c	13.744 ± 0.002 Å
α	107.385 ± 0.014°
β	90.842 ± 0.013°
γ	106.663 ± 0.015°
Cell volume	2050.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1657
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270662 (current)	2021-11-16	cif/ Adding structures of 7129235, 7129236, 7129237, 7129238, 7129239, 7129240, 7129241, 7129242, 7129243, 7129244, 7129245 via cif-deposit CGI script.	7129236.cif