Crystallography Open Database

Information card for entry 7720623

7720622 << 7720623 >> 7720624

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Coordinates	7720623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H124 B2 Br6 F40 N4 Zn4
Calculated formula	C128 H124 B2 Br6 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	32.9862 ± 0.0012 Å
b	14.0098 ± 0.0006 Å
c	32.2452 ± 0.0013 Å
α	90°
β	112.393 ± 0.001°
γ	90°
Cell volume	13777.8 ± 1 Å³
Cell temperature	100 ± 2 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	0.0391
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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