Crystallography Open Database

Information card for entry 7111229

Preview

Coordinates	7111229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H108 Fe2 N4
Calculated formula	C77 H108 Fe2 N4
Title of publication	Benzyl anion abstraction from a (β-diiminato)Fe(ii) benzyl complexElectronic supplementary information (ESI) available: experimental data. See http://www.rsc.org/suppdata/cc/b2/b204454d/
Authors of publication	Sciarone, Timo J.J.; Meetsma, Auke; Hesssen, Bart; Teuben, Jan H.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	15
Pages of publication	1580
a	15.3319 ± 0.0009 Å
b	20.652 ± 0.001 Å
c	22.408 ± 0.001 Å
α	90°
β	90.781 ± 0.001°
γ	90°
Cell volume	7094.5 ± 0.6 Å³
Cell temperature	125 ± 1 K
Ambient diffraction temperature	125 ± 1 K
Number of distinct elements	4
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	0.0623
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180226 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/12.	7111229.cif
96367	2014-01-29	cif/ Adding structures of 7111229, 7111230 via cif-deposit CGI script.	7111229.cif