Crystallography Open Database

Information card for entry 4333012

Preview

Coordinates	4333012.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Sp)-2-(diphenylphosphino)ferrocenecarboxaldehyde
Formula	C23 H19 Fe O P
Calculated formula	C23 H19 Fe O P
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	8.4927 ± 0.0001 Å
b	17.2736 ± 0.0002 Å
c	13.006 ± 0.0001 Å
α	90°
β	103.685 ± 0.0006°
γ	90°
Cell volume	1853.81 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
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.	4333012.cif
98708	2014-01-30	cif/ Adding structures of 4333012, 4333013, 4333014, 4333015, 4333016, 4333017 via cif-deposit CGI script.	4333012.cif