Crystallography Open Database

Information card for entry 7057481

Preview

Coordinates	7057481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H52 Cl2 Cu F6 Fe2 N2 O2 P3
Calculated formula	C56 H52 Cl2 Cu F6 Fe2 N2 O2 P3
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	24.301 ± 0.0004 Å
b	11.9534 ± 0.0003 Å
c	19.8877 ± 0.0003 Å
α	90°
β	111.293 ± 0.0006°
γ	90°
Cell volume	5382.61 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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