Crystallography Open Database

Information card for entry 4075065

Preview

Coordinates	4075065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Fe O4 P3 S
Calculated formula	C32 H35 Fe O4 P3 S
SMILES	[Fe]12345([P](OC)(OC)c6ccccc6)([P](OC)(OC)c6ccccc6)[c]6(P(=S)(C7=C5CC=C7)c5ccccc5)[cH]1[cH]2[cH]3[cH]46
Title of publication	Reactions of Ring-Slipped Iron Complexes Derived from P(S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes
Authors of publication	Imamura, Yuki; Kubo, Kazuyuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2301
a	13.621 ± 0.0002 Å
b	16.99 ± 0.0003 Å
c	14.089 ± 0.0002 Å
α	90°
β	107.17 ± 0.001°
γ	90°
Cell volume	3115.18 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.039
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178639 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/50.	4075065.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075065.cif
49041	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075065, 4075066, 4075067 via cif-deposit CGI script.	4075065.cif