Crystallography Open Database

Information card for entry 7129237

Preview

Coordinates	7129237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H50 Cl Fe N2 Rh Si
Calculated formula	C32 H50 Cl Fe N2 Rh Si
SMILES	[Rh]123(Cl)(=C4N([c]56[Fe]789%10%11%12%13([c]5([cH]7[cH]8[cH]69)[Si](C)(C)C)[c]5(N4CC(C)(C)C)[cH]%10[cH]%11[cH]%12[cH]%135)CC(C)(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
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	10.0905 ± 0.0005 Å
b	18.0609 ± 0.0009 Å
c	18.3689 ± 0.0009 Å
α	96.23 ± 0.004°
β	98.922 ± 0.004°
γ	94.876 ± 0.004°
Cell volume	3269.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7129237.cif