Crystallography Open Database

Information card for entry 7203700

7203699 << 7203700 >> 7203701

Preview

Coordinates	7203700.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N,N-bis(2-hydroxyethyl)ferrocene carboxamide
Chemical name	N,N-bis(2-hydroxyethyl)ferrocene carboxamide
Formula	C15 H19 Fe N O3
Calculated formula	C15 H19 Fe N O3
Title of publication	Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms
Authors of publication	Petr Štěpnička; Ivana Císařová
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	4
Pages of publication	37
a	12.697 ± 0.0002 Å
b	10.017 ± 0.0002 Å
c	22.015 ± 0.0003 Å
α	90°
β	92.601 ± 0.001°
γ	90°
Cell volume	2797.11 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0678
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
180368 (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 7/20/37.	7203700.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203700.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203700.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203700.cif