Crystallography Open Database

Information card for entry 4330426

Preview

Coordinates	4330426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.98 H54.85 B Cl0.25 F4.53 Fe N1.94 O1.25 P3.76
Calculated formula	C49.9728 H54.8296 B Cl0.2432 F4.5408 Fe N1.942 O1.2432 P3.7568
Title of publication	Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species
Authors of publication	Caroline T. Saouma; Connie C. Lu; Jonas C. Peters
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10043 - 10054
a	11.7898 ± 0.0009 Å
b	12.1629 ± 0.001 Å
c	18.527 ± 0.0015 Å
α	73.97 ± 0.002°
β	79.367 ± 0.001°
γ	74.241 ± 0.001°
Cell volume	2440.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179407 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/04.	4330426.cif
79681	2013-04-05	cif/ Adding structures of 4330426 via cif-deposit CGI script.	4330426.cif