Crystallography Open Database

Information card for entry 7207275

7207274 << 7207275 >> 7207276

Preview

Coordinates	7207275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H66 Fe N4 O4
Calculated formula	C50 H66 Fe N4 O4
SMILES	C([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2(C(=[NH+]C3CCCCC3)NC3CCCCC3)[cH]1[cH]6[cH]7[cH]82)(=[NH+]C1CCCCC1)NC1CCCCC1.O=C([O-])c1ccccc1.[O-]C(=O)c1ccccc1
Title of publication	Into the second dimension with ferrocene bis-amidinium salts
Authors of publication	Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	3
Pages of publication	771
a	11.5383 ± 0.0005 Å
b	11.7825 ± 0.0003 Å
c	16.8252 ± 0.0008 Å
α	90°
β	96.236 ± 0.002°
γ	90°
Cell volume	2273.85 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0792
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180403 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/72.	7207275.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207275.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207275.cif
32529	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7207275, 7207276 via cif-deposit CGI script.	7207275.cif