Crystallography Open Database

Information card for entry 7050771

Preview

Coordinates	7050771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.7 H33.4 Cl2.4 Fe O2 P Ru
Calculated formula	C33.7 H33.4 Cl2.4 Fe O2 P Ru
Title of publication	Synthesis, characterization and diastereoselective coordination of a planarly chiral, hybrid ferrocene ligand, (Sp)-2-(diphenylphosphino)ferrocenecarboxylic acid
Authors of publication	Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2002
Journal volume	26
Journal issue	5
Pages of publication	567
a	23.9653 ± 0.0002 Å
b	23.9653 ± 0.0002 Å
c	11.3015 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	6490.85 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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