Crystallography Open Database

Information card for entry 7713487

Preview

Coordinates	7713487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H54 Br4 N4 Pt
Calculated formula	C46 H54 Br4 N4 Pt
SMILES	[Pt](C#Cc1cc(Br)cc(Br)c1)(C#Cc1cc(Br)cc(Br)c1)(=C1N(C=CN1C1CCCCC1)C1CCCCC1)=C1N(C=CN1C1CCCCC1)C1CCCCC1
Title of publication	Effect of Bromine Substitution on Blue Phosphorescent trans-(N-Heterocyclic Carbene)Pt(II) Acetylide Complexes
Authors of publication	Khan, Amran; Gobeze, Habtom B.; Islam, Tanjila; Arman, Hadi; Schanze, Kirk
Journal of publication	Dalton Transactions
Year of publication	2023
a	22.6051 ± 0.0012 Å
b	28.2889 ± 0.0003 Å
c	12.948 ± 0.0007 Å
α	90°
β	148.017 ± 0.013°
γ	90°
Cell volume	4385.6 ± 1.6 Å³
Cell temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.0468
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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