Crystallography Open Database

Information card for entry 4083278

Preview

Coordinates	4083278.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Compound [FBIP-CL]~2~
Formula	C115 H95 Cl25 Fe2 N8 O8 Pd2 Pt2 S4
Calculated formula	C115 H95 Cl25 Fe2 N8 O8 Pd2 Pt2 S4
Title of publication	Asymmetric Synthesis of Heterobimetallic Planar Chiral Ferrocene Pallada-/Platinacycles and Their Application to Enantioselective Aza-Claisen Rearrangements
Authors of publication	Weiss, Marcel; Frey, Wolfgang; Peters, René
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6365
a	15.2401 ± 0.0005 Å
b	30.2619 ± 0.0012 Å
c	15.5994 ± 0.0006 Å
α	90°
β	118.643 ± 0.002°
γ	90°
Cell volume	6313.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
178721 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32.	4083278.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4083278.cif
113695	2014-05-13	cif/ Adding structures of 4083278 via cif-deposit CGI script.	4083278.cif