Crystallography Open Database

Information card for entry 4067558

Preview

Coordinates	4067558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Fe O4 P2
Calculated formula	C32 H48 Fe O4 P2
SMILES	[c]12([p]3[c]4([c]5([c]1([Fe]16782345[c]2([p]8[c]7([c]6([c]12C)C)C(=O)C(C)(C)C)C(=O)C(C)(C)C)C)C)C(=O)C(C)(C)C)C(=O)C(C)(C)C
Title of publication	Synthesis of 2,5-Difunctional Phosphaferrocenes
Authors of publication	Escobar, Aholibama; Mathey, François
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	4
Pages of publication	1053
a	14.7385 ± 0.0002 Å
b	14.7385 ± 0.0002 Å
c	14.8789 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3232.04 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1751
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178566 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/75.	4067558.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067558.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067558.cif
34229	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067558 via cif-deposit CGI script.	4067558.cif