Crystallography Open Database

Information card for entry 4340660

Preview

Coordinates	4340660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H38 Cl2 P2 Pd
Calculated formula	C25 H38 Cl2 P2 Pd
SMILES	[Pd]1(Cl)(Cl)[P](c2c(Cc3c([P]1(C(C)C)C(C)C)cccc3)cccc2)(C(C)C)C(C)C
Title of publication	Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.
Authors of publication	Comanescu, Cezar C.; Iluc, Vlad M.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	16
Pages of publication	8517 - 8528
a	10.3224 ± 0.0008 Å
b	15.9598 ± 0.0013 Å
c	16.8281 ± 0.0014 Å
α	90°
β	102.437 ± 0.001°
γ	90°
Cell volume	2707.3 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0687
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340660.cif
122891	2014-09-06	cif/ Updating files of 4340659, 4340660, 4340661, 4340662, 4340663, 4340664, 4340665, 4340666, 4340667, 4340668, 4340669 Original log message: Adding full bibliography for 4340659--4340669.cif.	4340660.cif
121997	2014-08-18	cif/ Adding structures of 4340659, 4340660, 4340661, 4340662, 4340663, 4340664, 4340665, 4340666, 4340667, 4340668, 4340669 via cif-deposit CGI script.	4340660.cif