Crystallography Open Database

Information card for entry 4321372

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Coordinates	4321372.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ti4O2(i-PrO)6](CpFeCpCO2)6.1.32CH2Cl2
Formula	C85.32 H98.64 Cl2.64 Fe6 O20 Ti4
Calculated formula	C85.322 H98.644 Cl2.644 Fe6 O20 Ti4
Title of publication	Synthesis and Characterization of a Novel Asymmetric Ferrocene Alkoxycarboxylate of Titanium, Ti4O2(OiPr)6{(η5-O2CC5H4)Fe(η5-C5H5)}6
Authors of publication	Alec Bailey; Maoyu Shang; Thomas P. Fehlner
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4374 - 4376
a	17.09 ± 0.005 Å
b	21.612 ± 0.004 Å
c	24.548 ± 0.005 Å
α	90°
β	100.129 ± 0.014°
γ	90°
Cell volume	8925 ± 4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1124
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1785
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179316 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/13.	4321372.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321372.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321372.cif
18737	2011-05-03	../uploads/cif-deposit/cod/cif Adding structures of 4321372 via cif-deposit CGI script.	4321372.cif