Crystallography Open Database

Information card for entry 1519167

1519166 << 1519167 >> 1519168

Preview

Coordinates	1519167.cif

Structure parameters

Formula	C35 H30 Cl4 Fe P2 Pd
Calculated formula	C35 H28 Cl4 Fe P2 Pd
SMILES	[Pd]1(Cl)(Cl)[P]([c]23[Fe]456789%10([c]%11([P]1(c1ccccc1)c1ccccc1)[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]%10[cH]9[cH]38)(c1ccccc1)c1ccccc1.ClCCl
Title of publication	C34H28Cl2FeP2Pd.CH2Cl2
Authors of publication	Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1996
Pages of publication	761
a	9.77 ± 0.003 Å
b	18.093 ± 0.005 Å
c	19.001 ± 0.003 Å
α	90°
β	102.61 ± 0.02°
γ	90°
Cell volume	3277.8 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0596
Residual factor for significantly intense reflections	0.046
Weighted residual factors for all reflections	0.116
Weighted residual factors for significantly intense reflections	0.1056
Goodness-of-fit parameter for all reflections	1.008
Goodness-of-fit parameter for significantly intense reflections	1.105
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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 1.	1519167.cif
135483	2015-05-04	cif/ Adding structures of 1519167 via cif-deposit CGI script.	1519167.cif