Crystallography Open Database

Information card for entry 4066186

Preview

Coordinates	4066186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H36 Cl Fe N2 O4 P Pd
Calculated formula	C37 H36 Cl Fe N2 O4 P Pd
Title of publication	Synthesis, Structural Characterization, and Catalytic Evaluation of Palladium Complexes with Homologous Ferrocene-Based Pyridylphosphine Ligands
Authors of publication	Štěpnička, Petr; Schulz, Jiří; Klemann, Thorsten; Siemeling, Ulrich; Císařová, Ivana
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	14
Pages of publication	3187
a	22.9503 ± 0.0003 Å
b	18.143 ± 0.0002 Å
c	19.286 ± 0.0002 Å
α	90°
β	125.609 ± 0.0005°
γ	90°
Cell volume	6528.86 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178553 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/61.	4066186.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066186.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066186.cif
33823	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066181, 4066182, 4066183, 4066184, 4066185, 4066186, 4066187 via cif-deposit CGI script.	4066186.cif