Crystallography Open Database

Information card for entry 4317561

Preview

Coordinates	4317561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 F6 Fe N2 O4
Calculated formula	Fe
Title of publication	Synthesis and Structural Studies of 1,1'-Bis-Amino-Functionalized Ferrocenes, Ferrocene Salts, and Ferrocenium Salts
Authors of publication	Sam Bradley; Kenneth D. Camm; Xiaoming Liu; Patrick C. McGowan; Raheela Mumtaz; Karrie A. Oughton; Thomas J. Podesta; Mark Thornton-Pett
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	715 - 726
a	12.2379 ± 0.0002 Å
b	31.2235 ± 0.0007 Å
c	21.5825 ± 0.0005 Å
α	90°
β	100.299 ± 0.001°
γ	90°
Cell volume	8114 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.6224
Residual factor for significantly intense reflections	0.5574
Weighted residual factors for significantly intense reflections	0.8564
Weighted residual factors for all reflections included in the refinement	0.8831
Goodness-of-fit parameter for all reflections included in the refinement	6.702
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
179255 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/75.	4317561.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317561.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317561.cif
13836	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317561 via cif-deposit CGI script.	4317561.cif