Crystallography Open Database

Information card for entry 8103193

Preview

Coordinates	8103193.cif

Structure parameters

Formula	C38 H33 Cl2 N P2 Pd
Calculated formula	C38 H33 Cl2 N P2 Pd
Title of publication	Crystal structure of bis(triphenylphospine-?P)-dichloropalladium(II) — acetonitrile (1:1), [PdCl2(C18H15P)2] • CH3CN
Authors of publication	Li-Na Cui; Zhong-Feng Li; Jin Wen; Yu-Han Jiang; Qiong-Hua Jin; Hui-Li Gong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	591
a	12.056 ± 0.0011 Å
b	14.3931 ± 0.0013 Å
c	20.0019 ± 0.0019 Å
α	90°
β	92.372 ± 0.001°
γ	90°
Cell volume	3467.8 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.1043
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103193.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103193.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103193.cif
32536	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103193, 8103194 via cif-deposit CGI script.	8103193.cif