Crystallography Open Database

Information card for entry 1519600

1519599 << 1519600 >> 1519601

Preview

Coordinates	1519600.cif

Structure parameters

Formula	C30 H52 Fe P2
Calculated formula	C30 H52 Fe P2
SMILES	[Fe]12345678([c]9([c]2([c]6([c]4([c]19C)C)C)C)P(C(C)C)C(C)C)[c]1([c]8([c]7([c]5([c]31C)C)C)C)P(C(C)C)C(C)C
Title of publication	C30H52FeP2
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	920
a	24.578 ± 0.005 Å
b	9.333 ± 0.0019 Å
c	15.288 ± 0.003 Å
α	90°
β	123.25 ± 0.03°
γ	90°
Cell volume	2932.7 ± 1.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0524
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	1519600.cif
136208	2015-05-13	cif/ Adding structures of 1519600 via cif-deposit CGI script.	1519600.cif