Crystallography Open Database

Information card for entry 4330425

Preview

Coordinates	4330425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96.67 H100.67 B0.67 Fe0.67 N2 O4.67 P2
Calculated formula	C96.6693 H100.672 B0.666667 Fe0.666667 N2 O4.66733 P2
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	19.5253 ± 0.0004 Å
b	21.1191 ± 0.0003 Å
c	30.1301 ± 0.0006 Å
α	90°
β	104.095 ± 0.001°
γ	90°
Cell volume	12050.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0631
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4330425.cif
79680	2013-04-05	cif/ Adding structures of 4330425 via cif-deposit CGI script.	4330425.cif