Crystallography Open Database

Information card for entry 7720620

7720619 << 7720620 >> 7720621

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Coordinates	7720620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H124 B2 Cl6 F40 N4 Zn4
Calculated formula	C128 H124 B2 Cl6 F40 N4 Zn4
Title of publication	Synthesis, Structural Characterization and Rigidity Dependent Dual Luminescence Behavior of High-Energy Phosphorescent Zinc(II) Cyclic (Alkyl)(Amino)carbene Complexes
Authors of publication	Mitra, Mousree; Mrózek, Ondřej; Belyaev, Andrey; Janiak, Lars; Marian, Christel Maria; Steffen, Andreas
Journal of publication	Dalton Transactions
Year of publication	2026
a	32.9419 ± 0.0008 Å
b	14.0164 ± 0.0003 Å
c	31.9005 ± 0.0008 Å
α	90°
β	112.736 ± 0.001°
γ	90°
Cell volume	13584.8 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.0403
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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