Crystallography Open Database

Information card for entry 4335384

Preview

Coordinates	4335384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 Cl2 N4 P2 Pd2
Calculated formula	C52 H72 Cl2 N4 P2 Pd2
SMILES	C1=CN(c2c(cccc2C(C)C)C(C)C)[P]2(N1c1c(cccc1C(C)C)C(C)C)[Pd]1(Cl)[P]3(N(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[Pd]21Cl
Title of publication	Donor-Free Phosphenium-Metal(0)-Halides with Unsymmetrically Bridging Phosphenium Ligands
Authors of publication	Daniela Förster; Jan Nickolaus; Martin Nieger; Zoltán Benkö; Andreas W. Ehlers; Dietrich Gudat
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7699 - 7708
a	12.7928 ± 0.0003 Å
b	14.4161 ± 0.0004 Å
c	14.5891 ± 0.0004 Å
α	90°
β	104.279 ± 0.001°
γ	90°
Cell volume	2607.43 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179456 (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 4/33/53.	4335384.cif
101311	2014-02-11	cif/ Adding structures of 4335384 via cif-deposit CGI script.	4335384.cif