Crystallography Open Database

Information card for entry 7720624

7720623 << 7720624 >> 7720625

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Coordinates	7720624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C141 H152 B2 Br6 F40 N4 Zn4
Calculated formula	C141 H152 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	20.4042 ± 0.0006 Å
b	29.9585 ± 0.0006 Å
c	47.0638 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	28769.1 ± 1.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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