Crystallography Open Database

Information card for entry 4085921

Preview

Coordinates	4085921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H96 B2 F48 Fe O9
Calculated formula	C100 H96 B2 F48 Fe O9
Title of publication	Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application
Authors of publication	Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	3079
a	25.7267 ± 0.0017 Å
b	17.4831 ± 0.0008 Å
c	24.6865 ± 0.0016 Å
α	90°
β	109.256 ± 0.007°
γ	90°
Cell volume	10482.4 ± 1.2 Å³
Cell temperature	104 ± 4 K
Ambient diffraction temperature	104 ± 4 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1436
Residual factor for significantly intense reflections	0.0995
Weighted residual factors for significantly intense reflections	0.2428
Weighted residual factors for all reflections included in the refinement	0.277
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
141379 (current)	2015-07-09	cif/ Updating files of 4085916, 4085917, 4085918, 4085919, 4085920, 4085921, 4085922, 4085923, 4085924, 4085925, 4085926 Original log message: Adding full bibliography for 4085916--4085926.cif.	4085921.cif
137762	2015-06-04	cif/ Adding structures of 4085916, 4085917, 4085918, 4085919, 4085920, 4085921, 4085922, 4085923, 4085924, 4085925, 4085926 via cif-deposit CGI script.	4085921.cif