Crystallography Open Database

Information card for entry 1519194

1519193 << 1519194 >> 1519195

Preview

Coordinates	1519194.cif

Structure parameters

Formula	C27 H47 Cl4 Fe N P2 Pd
Calculated formula	C27 H47 Cl4 Fe N P2 Pd
SMILES	[Pd]1([P]([c]23[Fe]456789%10([cH]%11[cH]9[cH]4[c]7([P]1(C(C)C)C(C)C)[c]%10%11[C@H](N(C)C)C)[cH]([cH]6[cH]25)[cH]38)(C(C)C)C(C)C)(Cl)Cl.ClCCl
Title of publication	C27H47Cl4FeNP2Pd
Authors of publication	Butler, Ian R.; Light, Mark E.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1998
Pages of publication	745
a	13.543 ± 0.0005 Å
b	14.991 ± 0.0009 Å
c	16.009 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3250.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
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.	1519194.cif
135511	2015-05-05	cif/ Adding structures of 1519194 via cif-deposit CGI script.	1519194.cif