Crystallography Open Database

Information card for entry 7057484

Preview

Coordinates	7057484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 Ag Cl Fe2 N2 O6 P2
Calculated formula	C54 H52 Ag Cl Fe2 N2 O6 P2
Title of publication	Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline
Authors of publication	Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	14
Pages of publication	11450
a	11.2448 ± 0.0007 Å
b	19.9704 ± 0.0014 Å
c	11.2323 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2522.4 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0171
Residual factor for significantly intense reflections	0.0169
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0404
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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