Crystallography Open Database

Information card for entry 7001368

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Coordinates	7001368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 Fe N
Calculated formula	C27 H23 Fe N
SMILES	[Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[c]8([cH]7[cH]6[cH]51)/C(=C(\c1ccccc1)c1ccc(C#N)cc1)CC
Title of publication	Role of aromatic substituents on the antiproliferative effects of diphenyl ferrocenyl butene compounds
Authors of publication	Zekri, Ouardia; Hillard, Elizabeth A.; Top, Siden; Vessières, Anne; Pigeon, Pascal; Plamont, Marie-Aude; Huché, Michel; Boutamine, Sultana; McGlinchey, Michael J.; Müller-Bunz, Helge; Jaouen, Gérard
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	22
Pages of publication	4318 - 4326
a	9.2142 ± 0.0007 Å
b	10.3767 ± 0.0008 Å
c	11.681 ± 0.0009 Å
α	77.883 ± 0.001°
β	68.208 ± 0.001°
γ	88.593 ± 0.001°
Cell volume	1012.18 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7001368.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001368.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001368.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001368.cif