Crystallography Open Database

Information card for entry 4339146

Preview

Coordinates	4339146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cl2 O4 P2 Pd
Calculated formula	C36 H42 Cl2 O4 P2 Pd
Title of publication	New tertiary phosphines from cinnamaldehydes and diphenylphosphine.
Authors of publication	Moiseev, Dmitry V.; Patrick, Brian O.; James, Brian R.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11467 - 11474
a	14.7439 ± 0.0006 Å
b	21.8538 ± 0.0009 Å
c	21.9153 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7061.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339146.cif
117160	2014-06-14	cif/ Adding structures of 4339146 via cif-deposit CGI script.	4339146.cif