Crystallography Open Database

Information card for entry 7019051

7019050 << 7019051 >> 7019052

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Coordinates	7019051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Fe O2 Si
Calculated formula	C20 H18 Fe O2 Si
SMILES	[Fe]1234([Si](C)(c5ccccc5)c5ccccc5)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	The inverse sandwich complex [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] - unpredictable redox reactions of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) and the isoelectronic phosphanyl borohydride K[PtBu(2)BH(3)].
Authors of publication	Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	22
Pages of publication	6671 - 6676
a	15.2447 ± 0.0012 Å
b	7.7411 ± 0.0007 Å
c	45.632 ± 0.004 Å
α	90°
β	91.899 ± 0.006°
γ	90°
Cell volume	5382.1 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.2237
Residual factor for significantly intense reflections	0.1613
Weighted residual factors for significantly intense reflections	0.3508
Weighted residual factors for all reflections included in the refinement	0.3785
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179894 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/90.	7019051.cif
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	7019051.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019051.cif
60427	2012-06-14	cif/ Adding structures of 7019051, 7019052, 7019053 via cif-deposit CGI script.	7019051.cif