Crystallography Open Database

Information card for entry 4068413

Preview

Coordinates	4068413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H40 Fe N P3
Calculated formula	C23 H40 Fe N P3
SMILES	[FeH]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[NH]=C(c2c1cccc2)c1ccccc1C
Title of publication	C−H Activation of Imines by Trimethylphosphine-Supported Iron Complexes and Their Reactivities
Authors of publication	Camadanli, Sebnem; Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2300
a	9.2537 ± 0.0004 Å
b	9.3794 ± 0.0004 Å
c	14.8576 ± 0.0006 Å
α	94.603 ± 0.001°
β	90.404 ± 0.001°
γ	93.928 ± 0.001°
Cell volume	1282.27 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
178574 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068413.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068413.cif
39754	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068411, 4068412, 4068413, 4068414, 4068415, 4068416, 4068417, 4068418 via cif-deposit CGI script.	4068413.cif