Crystallography Open Database

Information card for entry 4332697

Preview

Coordinates	4332697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Cl10 P2 Pd2
Calculated formula	C40 H38 Cl10 P2 Pd2
SMILES	C12c3c4cccc3C(c3c1c(ccc3)[P](C(C)C)(C(C)C)[Pd]1([Cl][Pd]([Cl]1)(Cl)[P]4(c1ccccc1)c1ccccc1)Cl)c1c2cccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Roof-Shaped Halide-Bridged Bimetallic Complexes via Ring Expansion Reaction
Authors of publication	Azerraf, Clarite; Cohen, Shmuel; Gelman, Dmitri
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	17
Pages of publication	7010 - 7017
a	11.3101 ± 0.0008 Å
b	15.7573 ± 0.0012 Å
c	24.744 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4409.8 ± 0.6 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
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	0.0307
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
179429 (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 4/33/26.	4332697.cif
98491	2014-01-30	cif/ Adding structures of 4332697, 4332698, 4332699 via cif-deposit CGI script.	4332697.cif