Crystallography Open Database

Information card for entry 4070881

Preview

Coordinates	4070881.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(R,Rp)-1d
Formula	C43 H37 Cl5 Fe P2 Pd
Calculated formula	C43 H37 Cl5 Fe P2 Pd
Title of publication	Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands
Authors of publication	Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1119
a	11.278 ± 0.002 Å
b	14.443 ± 0.003 Å
c	13.142 ± 0.003 Å
α	90°
β	102.8 ± 0.01°
γ	90°
Cell volume	2087.5 ± 0.7 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178597 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08.	4070881.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070881.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070881.cif
42820	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070881, 4070882, 4070883, 4070884, 4070885 via cif-deposit CGI script.	4070881.cif