Crystallography Open Database

Information card for entry 4085334

Preview

Coordinates	4085334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H47 Fe P
Calculated formula	C43 H47 Fe P
Title of publication	Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes
Authors of publication	Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	3
Pages of publication	622
a	15.8914 ± 0.0002 Å
b	14.387 ± 0.0002 Å
c	14.8324 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3391.13 ± 0.08 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2229
Weighted residual factors for all reflections included in the refinement	0.233
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
178742 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/53.	4085334.cif
132970	2015-03-04	cif/ Updating files of 4085329, 4085330, 4085331, 4085332, 4085333, 4085334, 4085335, 4085336 Original log message: Adding full bibliography for 4085329--4085336.cif.	4085334.cif
130838	2015-02-04	cif/ Adding structures of 4085329, 4085330, 4085331, 4085332, 4085333, 4085334, 4085335, 4085336 via cif-deposit CGI script.	4085334.cif