Crystallography Open Database

Information card for entry 4077234

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Structure parameters

Formula	C112 H115 Br4 Cl9 Fe2 N4 P4 Pd4
Calculated formula	C112 H115 Br4 Cl9 Fe2 N4 P4 Pd4
Title of publication	Cyclometalated Palladium(II) Fragments as Building Blocks in the Construction of New Heteronuclear Metalomacrocycles
Authors of publication	López-Torres, Margarita; Fernández, Alberto; Fernández, Jesús J.; Suárez, Antonio; Castro-Juiz, Samuel; Vila, José M.; Pereira, M. Teresa
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	7
Pages of publication	1350
a	25.3238 ± 0.0001 Å
b	27.1937 ± 0.0003 Å
c	17.9387 ± 0.0001 Å
α	90°
β	90.407 ± 0.001°
γ	90°
Cell volume	12353.1 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.1063
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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