Crystallography Open Database

Information card for entry 1519606

1519605 << 1519606 >> 1519607

Preview

Coordinates	1519606.cif

Structure parameters

Formula	C34 H62 Fe P4
Calculated formula	C34 H62 Fe P4
SMILES	[Fe]12345678([c]9([c]2(P(C(C)C)C(C)C)[cH]4[cH]6[cH]19)P(C(C)C)C(C)C)[c]1([c]3(P(C(C)C)C(C)C)[cH]5[cH]7[cH]81)P(C(C)C)C(C)C
Title of publication	C34H62FeP4
Authors of publication	Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2004
Pages of publication	918
a	10.0484 ± 0.0007 Å
b	12.2174 ± 0.001 Å
c	14.7534 ± 0.0019 Å
α	90°
β	100.896 ± 0.009°
γ	90°
Cell volume	1778.6 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0323
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519606.cif
136214	2015-05-13	cif/ Adding structures of 1519606 via cif-deposit CGI script.	1519606.cif