Crystallography Open Database

Information card for entry 4083279

Preview

Coordinates	4083279.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound 2
Formula	C86 H116 Cl4 Fe N6 O4 Pd Pt S2
Calculated formula	C86 H116 Cl4 Fe N6 O4 Pd Pt S2
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	18.279 ± 0.006 Å
b	14.532 ± 0.004 Å
c	34.588 ± 0.007 Å
α	90°
β	103.87 ± 0.02°
γ	90°
Cell volume	8920 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2547
Residual factor for significantly intense reflections	0.1334
Weighted residual factors for significantly intense reflections	0.2657
Weighted residual factors for all reflections included in the refinement	0.3097
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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.	4083279.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.	4083279.cif
113696	2014-05-13	cif/ Adding structures of 4083279 via cif-deposit CGI script.	4083279.cif