Crystallography Open Database

Information card for entry 4344733

Preview

Coordinates	4344733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H39 Cl2 Fe P3
Calculated formula	C41 H39 Cl2 Fe P3
SMILES	[Fe]1([P](c2ccccc2)(c2ccccc2)CC(CP(c2ccccc2)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)C)(Cl)Cl
Title of publication	Controlled Flexible Coordination in Tripodal Iron(II) Phosphane Complexes: Effects on Reactivity.
Authors of publication	Petuker, Anette; Merz, Klaus; Merten, Christian; Apfel, Ulf-Peter
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	3
Pages of publication	1183 - 1191
a	9.286 ± 0.01 Å
b	9.318 ± 0.01 Å
c	12.642 ± 0.013 Å
α	94.8155 ± 0.0018°
β	109.849 ± 0.008°
γ	110.022 ± 0.014°
Cell volume	941.6 ± 1.7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	0.8984
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	4344733.cif
175602	2016-02-04	cif/ Adding structures of 4344733 via cif-deposit CGI script.	4344733.cif