Crystallography Open Database

Information card for entry 4338968

Preview

Coordinates	4338968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 As Cl5 P Pd
Calculated formula	C27 H27 As Cl5 P Pd
SMILES	[Pd]1([As@]2(c3ccccc3)[C@H]3C(=C(C)[C@@H]2[C@@H]([P]1(c1ccccc1)c1ccccc1)C3)C)(Cl)Cl.ClC(Cl)Cl
Title of publication	Novel stereochemistry, reactivity, and stability of an arsenic heterocycle in a metal-promoted asymmetric cycloaddition reaction.
Authors of publication	Ma, Mengtao; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9488 - 9494
a	8.6453 ± 0.0003 Å
b	14.7344 ± 0.0006 Å
c	22.8349 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2908.79 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179492 (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 4/33/89.	4338968.cif
117034	2014-06-14	cif/ Adding structures of 4338968 via cif-deposit CGI script.	4338968.cif