Crystallography Open Database

Information card for entry 4088640

Preview

Coordinates	4088640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 B Fe2 P Sn
Calculated formula	C26 H34 B Fe2 P Sn
SMILES	[Sn]1([c]23[c]4([Fe]56789%102([cH]4[cH]6[cH]35)[cH]2[cH]7[cH]9[cH]%10[cH]82)[P]([BH3])(C(C)(C)C)[c]23[Fe]456789%10([cH]2[cH]6[cH]8[c]135)[cH]1[cH]7[cH]4[cH]%10[cH]91)(C)C
Title of publication	Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties
Authors of publication	Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1964
a	12.1285 ± 0.0002 Å
b	13.3506 ± 0.0002 Å
c	15.4421 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2500.43 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237741 (current)	2019-11-24	cif/ Adding structures of 4088638, 4088639, 4088640, 4088641 via cif-deposit CGI script.	4088640.cif