Crystallography Open Database

Information card for entry 4104928

Preview

Coordinates	4104928.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MKL01
Formula	C52 H66 O4 P2 Pd2
Calculated formula	C52 H66 O4 P2 Pd2
SMILES	[Pd]12([P](c3c(c4ccccc24)cccc3)(C2CCCCC2)C2CCCCC2)[O]=C(O[Pd]2([P](c3c(cccc3)c3ccccc23)(C2CCCCC2)C2CCCCC2)[O]=C(O1)C)C
Title of publication	Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation
Authors of publication	Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12240 - 12249
a	41.026 ± 0.0007 Å
b	13.029 ± 0.0003 Å
c	20.375 ± 0.0005 Å
α	90°
β	99.81 ± 0.0007°
γ	90°
Cell volume	10731.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0946
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
178795 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/49.	4104928.cif
174394	2016-01-12	cif/4 Fixing some Z values and formulae	4104928.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104928.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104928.cif
30043	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104928 via cif-deposit CGI script.	4104928.cif