Crystallography Open Database

Information card for entry 4075462

Preview

Coordinates	4075462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H56 Cl7 N2 P Pt S
Calculated formula	C47 H56 Cl7 N2 P Pt S
SMILES	[Pt]12(Cl)([P]3(C4=C5CCCC5=C3C(c3[nH]c(C(c5sc(C(c6[nH]c(C4(C)C)cc6)(C)C)cc5)(C)C)cc3)(C)C)c3ccccc3)[CH]3=[CH]1CCC2C=CC3.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Phosphole-Containing Hybrid Calixpyrroles: New Multifunctional Macrocyclic Ligands for Platinum(II) Ions
Authors of publication	Matano, Yoshihiro; Nakabuchi, Takashi; Miyajima, Tooru; Imahori, Hiroshi
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	13
Pages of publication	3105
a	11.46 ± 0.008 Å
b	18.498 ± 0.013 Å
c	22.927 ± 0.015 Å
α	90°
β	91.15 ± 0.004°
γ	90°
Cell volume	4859 ± 6 Å³
Cell temperature	123.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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