Crystallography Open Database

Information card for entry 7019053

7019052 << 7019053 >> 7019054

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Coordinates	7019053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 Fe K O8
Calculated formula	C19 H29 Fe K O8
SMILES	[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.[K]12345[O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6
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	14.908 ± 0.0005 Å
b	10.4189 ± 0.0004 Å
c	14.3622 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2230.81 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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.	7019053.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'	7019053.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019053.cif
60427	2012-06-14	cif/ Adding structures of 7019051, 7019052, 7019053 via cif-deposit CGI script.	7019053.cif