Crystallography Open Database

Information card for entry 4333013

Preview

Coordinates	4333013.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Sp)-2-(diphenylphosphino)-1-vinylferrocene
Formula	C24 H21 Fe P
Calculated formula	C24 H21 Fe P
SMILES	[Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19P(c1ccccc1)c1ccccc1)C=C)[cH]1[cH]8[cH]7[cH]6[cH]51
Title of publication	Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines
Authors of publication	Štěpnička, Petr; Císařová, Ivana
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	21
Pages of publication	8785 - 8798
a	10.5452 ± 0.0002 Å
b	12.9788 ± 0.0002 Å
c	13.8939 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1901.58 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179433 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/30.	4333013.cif
98708	2014-01-30	cif/ Adding structures of 4333012, 4333013, 4333014, 4333015, 4333016, 4333017 via cif-deposit CGI script.	4333013.cif