Crystallography Open Database

Information card for entry 4330430

Preview

Coordinates	4330430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H115 B Fe N O6 P3
Calculated formula	C127.004 H115.01 B Fe N O6.002 P3
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	14.2347 ± 0.0004 Å
b	14.869 ± 0.0004 Å
c	49.9305 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	10568.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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.	4330430.cif
79685	2013-04-05	cif/ Adding structures of 4330430 via cif-deposit CGI script.	4330430.cif