Crystallography Open Database

Information card for entry 7129239

Preview

Coordinates	7129239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H35 Fe N2 P Pb Si2
Calculated formula	C28 H35 Fe N2 P Pb Si2
SMILES	[Pb]12[P]([c]34[Fe]56789%10%11([c]3([cH]7[cH]6[cH]45)N1[Si](C)(C)C)[c]1([cH]%11[cH]%10[cH]9[cH]81)N2[Si](C)(C)C)(c1ccccc1)c1ccccc1
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	10.3749 ± 0.0009 Å
b	11.2394 ± 0.0014 Å
c	15.5017 ± 0.0012 Å
α	106.545 ± 0.008°
β	93.996 ± 0.007°
γ	108.683 ± 0.008°
Cell volume	1615.5 ± 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	0.0226
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	7129239.cif