Crystallography Open Database

Information card for entry 1520282

1520281 << 1520282 >> 1520283

Preview

Coordinates	1520282.cif

Structure parameters

Formula	C19 H17 Fe N O
Calculated formula	C19 H17 Fe N O
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82CC1C(=O)Nc2ccccc12
Title of publication	C19H17FeNO
Authors of publication	Tizzard, Graham J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	1041
a	6.0028 ± 0.0002 Å
b	21.513 ± 0.0012 Å
c	11.3488 ± 0.0005 Å
α	90°
β	93.01 ± 0.003°
γ	90°
Cell volume	1463.54 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0713
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520282.cif
137964	2015-06-04	cif/ Adding structures of 1520282 via cif-deposit CGI script.	1520282.cif