Crystallography Open Database

Information card for entry 4340430

Preview

Coordinates	4340430.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(TMP)(2-MeHIm)2][Fe(TMP)(2-MeHIm)]
Formula	C259.8 H259.85 Cl1.4 Fe4 N29.88 O0.76
Calculated formula	C259.803 H232 Cl1.4 Fe4 N29.88 O0.7605
Title of publication	Ligand orientation control in low-spin six-coordinate (porphinato)iron(II) species.
Authors of publication	Hu, Chuanjiang; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert
Journal of publication	Inorganic chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4346 - 4358
a	39.8634 ± 0.0003 Å
b	39.8634 ± 0.0003 Å
c	28.1013 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	44655.5 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4340430.cif
131990	2015-02-18	cif/4/34/04/ (antanas@koala.ibt.lt) Removing multiple '&#x00FF' entries from '_geom_angle_' loop for CIF 4340430.	4340430.cif
119845	2014-07-09	cif/ Adding structures of 4340430 via cif-deposit CGI script.	4340430.cif