Crystallography Open Database

Information card for entry 8102665

Preview

Coordinates	8102665.cif

Structure parameters

Formula	C36 H30 I4 P2 Pd2
Calculated formula	C36 H30 I4 P2 Pd2
SMILES	[Pd]1([I][Pd]([I]1)(I)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(I)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of di-m-iodido-bis[(triphenylphosphine)iodidopalladium(II)], Pd2I4(PC18H15)2
Authors of publication	Chen Xu; Zhi-Qiang Wang; Ya-Peng Zhang; Ting Liang; Yan Xu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	273
a	16.1033 ± 0.0012 Å
b	15.8597 ± 0.0011 Å
c	16.9778 ± 0.0012 Å
α	90°
β	118.005 ± 0.001°
γ	90°
Cell volume	3828.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	8102665.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.	8102665.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102665.cif
13404	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102665 via cif-deposit CGI script.	8102665.cif