cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/nuhzdlkprgkksa-uhfffaoysa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/2C21H21O3P.C19H18NP.2Cu.2HI/c2*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;;;;/h2*4-15H,1-3H3;3-14H,1-2H3;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO-d6) δ [ppm] = 160.3 (s), 139.6 (s), 135.1 (d, J = 14.9 Hz), 133.5 (d, J = 12.9 Hz), 129.1 (d, J = 7.7 Hz), 124.6 (d, J = 32.8 Hz), 114.1 (d, J = 8.9 Hz), 55.1 (s, 6C, CP(MeO)), 20.9 (s, 2C, CL(Me)), resonances could not be assigned due to low resolution even at 8192 ns (46C). Impurities: 3% unknown, 1% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/nuhzdlkprgkksa-uhfffaoysa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/2C21H21O3P.C19H18NP.2Cu.2HI/c2*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;;;;/h2*4-15H,1-3H3;3-14H,1-2H3;;;2*1H/q;;;2*+1;;/p-2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 1437 (6) [M+Cu]+, 1376 (1) [M+H]+, 1248 (5) [M-I]+, 1146 (2) [Cu3I2P2]+, 1085 (5) [Cu3I2LP]+, 1024 (11) [Cu3I2L2]+, 997 (17) [Cu2IP2]+, 896 (13) [Cu2ILP]+, 767 (65) [CuP2]+, 706 (100) [CuLP]+, 543 (51) [Cu2IL]+, 415 (19) [CuP]+, 354 (83) [CuL]+, 353 (35) [P+H]+, 292 (15) [L+H]+.
DOI: 10.14272/nuhzdlkprgkksa-uhfffaoysa-l.1
title: C61H60Cu2I2NO6P3
title: InChI=1S/2C21H21O3P.C19H18NP.2Cu.2HI/c2*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;;;;/h2*4-15H,1-3H3;3-14H,1-2H3;;;2*1H/q;;;2*+1;;/p-2

description: This dataset contains experimental data from a sample (InChI=1S/2C21H21O3P.C19H18NP.2Cu.2HI/c2*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;;;;/h2*4-15H,1-3H3;3-14H,1-2H3;;;2*1H/q;;;2*+1;;/p-2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) process infrared absorption spectroscopy (IR) mass spectrometry (MS) X-ray diffraction (XRD)
DOI: 10.14272/nuhzdlkprgkksa-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/2C21H21O3P.C19H18NP.2Cu.2HI/c2*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;;;;/h2*4-15H,1-3H3;3-14H,1-2H3;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 8.65 (bs, 1H, HL(Pyr)), 7.88 (t, 3JHH = 7.5 Hz, 1H, HL(Pyr)), 7.57 (d, 3JHH = 7.4 Hz, 1H, HL(Pyr)), 7.43 (bs, 1H, HL(Pyr)), 7.37–7.33 (m, 12H, HP), 7.24 (bs, 4H, HL(Tolyl)), 7.09 (d, 3JHH = 7.8 Hz, 4H, HL(Tolyl)), 6.89 (d, 3JHH = 8.4 Hz, 12H, HP), 3.76 (s, 18H, HP(MeO)), 2.29 (s, 6H, HL(Me)). Impurities: 3% unknown, 1% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/nuhzdlkprgkksa-uhfffaoysa-l/bfo0000015
title: process ()
title: InChI=1S/2C21H21O3P.C19H18NP.2Cu.2HI/c2*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;;;;/h2*4-15H,1-3H3;3-14H,1-2H3;;;2*1H/q;;;2*+1;;/p-2

description: dataset for process 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −6.28 (bs, 1P, PL), −13.10 (bs, 2P, PP). Impurities: 1% phosphine oxide of the ligands, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/ynifbpaylsvlnb-uhfffaoysa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C20H20NP.2C18H15P.2Cu.2HI/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h4-14H,1-3H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 1271 (3) [M+Cu]+, 1242 (8) [Cu4I3L2]+, 1082 (2) [M-I]+, 1052 (20) [Cu3I2L2]+, 1009 (4) [Cu3I2LP]+, 966 (2) [Cu3I2P2]+, 819 (16) [Cu2ILP]+, 776 (12) [Cu2IP2]+, 747 (49) [Cu3I2L]+, 673 (68) [CuL2]+, 630 (73) [CuLP]+, 587 (85) [CuP2]+, 557 (100) [Cu2IL]+.
DOI: 10.14272/ynifbpaylsvlnb-uhfffaoysa-l/chmo0000156
title: X-ray diffraction (XRD) ()
title: InChI=1S/C20H20NP.2C18H15P.2Cu.2HI/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h4-14H,1-3H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/ynifbpaylsvlnb-uhfffaoysa-l.1
title: C56H50Cu2I2NP3
title: InChI=1S/C20H20NP.2C18H15P.2Cu.2HI/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h4-14H,1-3H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: This dataset contains experimental data from a sample (InChI=1S/C20H20NP.2C18H15P.2Cu.2HI/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h4-14H,1-3H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) process infrared absorption spectroscopy (IR) mass spectrometry (MS) X-ray diffraction (XRD)
DOI: 10.14272/ynifbpaylsvlnb-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C20H20NP.2C18H15P.2Cu.2HI/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h4-14H,1-3H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 7.46–7.35 (m, 33H, HP, HL(Pyr)), 7.18 (bs, 4H, HL(Tolyl)), 7.08 (d, 3JHH = 7.7 Hz, 4H, HL(Tolyl)), 2.28 (s, 6H, HL(Me)), 2.23 (s, 3H, HL(Me)). Impurities: 3% unknown, 2% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/ynifbpaylsvlnb-uhfffaoysa-l/bfo0000015
title: process ()
title: InChI=1S/C20H20NP.2C18H15P.2Cu.2HI/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h4-14H,1-3H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for process 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −5.50 (bs, 1P, PL), −7.47 (bs, 2P, PP). Impurities: 2% phosphine oxide of the ligands, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/ynifbpaylsvlnb-uhfffaoysa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C20H20NP.2C18H15P.2Cu.2HI/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h4-14H,1-3H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 3048 (vw), 1596 (vw), 1479 (w), 1434 (w), 1187 (vw), 1093 (w), 1029 (vw), 1000 (vw), 806 (w), 745 (w), 694 (m), 618 (vw), 515 (m), 502 (m), 463 (w), 439 (w).
DOI: 10.14272/ynifbpaylsvlnb-uhfffaoysa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H20NP.2C18H15P.2Cu.2HI/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h4-14H,1-3H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO-d6) δ [ppm] = 139.7 (s), 133.6 (d, J = 13.9 Hz), 132.9 (d, J = 28.2 Hz), 129.9 (s), 129.2 (d, J = 8.3 Hz), 128.6 (d, J = 8.2 Hz), 20.9 (s, 2C, CL(Me)), 20.7 (s, 1C, CL(Me)), resonances could not be assigned due to low resolution even at 8192 ns (47C). Impurities: 3% unknown, 2% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/rsqmvwihtceaof-uhfffaoysa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C19H18NP.2C18H15P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3-14H,1-2H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 1257 (2) [M+Cu]+, 1214 (5) [Cu4I3L2]+, 1068 (6) [M-I]+, 1024 (40) [Cu3I2L2]+, 995 (5) [Cu3I2LP]+, 834 (18) [Cu2IL2]+, 805 (38) [Cu2ILP]+, 776 (14) [Cu2IP2]+, 733 (40) [Cu3I2L]+, 645 (36) [CuL2]+, 616 (86) [CuLP]+, 587 (87) [CuP2]+, 543 (100) [Cu2IL]+.
DOI: 10.14272/rsqmvwihtceaof-uhfffaoysa-l/chmo0000156
title: X-ray diffraction (XRD) ()
title: InChI=1S/C19H18NP.2C18H15P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3-14H,1-2H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/rsqmvwihtceaof-uhfffaoysa-l/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/C19H18NP.2C18H15P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3-14H,1-2H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −5.91 (bs, 1P, PL), −9.08 (bs, 2P, PP). Impurities:2% phosphine oxide of the ligands, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/rsqmvwihtceaof-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H18NP.2C18H15P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3-14H,1-2H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 8.64 (bs, 1H, HL(Pyr)), 7.90 (t, 3JHH = 7.5 Hz, 1H, HL(Pyr)), 7.55 (bs, 1H, HL(Pyr)), 7.46–7.33 (m, 31H, HP, HL(Pyr)), 7.20 (bs, 4H, HL(Tolyl)), 7.08 (d, 3JHH = 7.8 Hz, 4H, HL(Tolyl)), 2.29 (s, 6H, HL(Me)). Impurities: 2% H-grease, 3% unknown, 2% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/rsqmvwihtceaof-uhfffaoysa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H18NP.2C18H15P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3-14H,1-2H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO-d6) δ [ppm] = 139.7 (s), 133.7 (d, J = 13.9 Hz), 133.4 (d, J = 14.3 Hz), 133.0 (d, J = 28.3 Hz), 129.9 (s), 129.2 (d, J = 7.7 Hz), 128.5 (d, J = 8.3 Hz), 20.9 (s, 2C, CL(Me)), resonances could not be assigned due to low resolution even at 8192 ns (46C). Impurities: 2% H-grease, 3% unknown, 2% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/rsqmvwihtceaof-uhfffaoysa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C19H18NP.2C18H15P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3-14H,1-2H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 1479 (w), 1433 (w), 1188 (vw), 1157 (vw), 1093 (w), 1029 (vw), 999 (vw), 805 (w), 745 (m), 693 (m), 617 (w), 513 (m), 500 (m), 430 (w).
DOI: 10.14272/rsqmvwihtceaof-uhfffaoysa-l.1
title: C55H48Cu2I2NP3
title: InChI=1S/C19H18NP.2C18H15P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3-14H,1-2H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: This dataset contains experimental data from a sample (InChI=1S/C19H18NP.2C18H15P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h3-14H,1-2H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) X-ray diffraction (XRD)
DOI: 10.14272/wkbjjvsvqxiatd-uhfffaoysa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO-d6) δ [ppm] = 164.5 (s), 162.0 (s), 139.9 (s), 135.9 (dd, J = 15.1 Hz, J = 8.8 Hz), 133.4 (bs), 129.2 (bs), 128.9 (bs), 115.9 (dd, J = 20.3 Hz, J = 7.7 Hz), 21.5 (s, 2C), 20.9 (s, 2C, CL(Me)), resonances could not be assigned due to low resolution even at 8192 ns (43C). Impurities: 3% according to the 1H-NMR.
DOI: 10.14272/wkbjjvsvqxiatd-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 8.68 (bs, 1H, HL(Pyr)), 7.89 (t, 3JHH = 1.8 Hz, 1H, HL(Pyr)), 7.45–7.44 (m, 15H, HP, HL), 7.23 (t, 3JHH = 8.7 Hz, 15H, HP, HL), 7.11 (d, 3JHH = 7.6 Hz, 4H, HL(Tolyl)), 2.29 (s, 6H, HL(Me)). Impurities: 3%.
DOI: 10.14272/wkbjjvsvqxiatd-uhfffaoysa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 1584 (w), 1493 (m), 1453 (w), 1392 (w), 1300 (vw), 1223 (w), 1158 (w), 1093 (w), 1013 (vw), 828 (m), 809 (m), 754 (w), 708 (vw), 631 (w), 618 (vw), 517 (m), 486 (w), 470 (w), 442 (w), 431 (m), 411 (w).
DOI: 10.14272/wkbjjvsvqxiatd-uhfffaoysa-l.1
title: C55H42Cu2F6I2NP3
title: InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2

description: This dataset contains experimental data from a sample (InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) X-ray diffraction (XRD)
DOI: 10.14272/wkbjjvsvqxiatd-uhfffaoysa-l/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −5.83 (bs, 1P, PL), −11.85 (bs, 2P, PP).
DOI: 10.14272/wkbjjvsvqxiatd-uhfffaoysa-l/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F-NMR (376 MHz, DMSO-d6) δ [ppm] = −114.85 (s, 6F).
DOI: 10.14272/wkbjjvsvqxiatd-uhfffaoysa-l/chmo0000156
title: X-ray diffraction (XRD) ()
title: InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/wkbjjvsvqxiatd-uhfffaoysa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 1365 (5) [M+Cu]+, 1176 (3) [M-I]+, 1049 (9) [Cu3I2LP]+, 1024 (19) [Cu3I2L2]+, 884 (20) [Cu2IP2]+, 859 (31) [Cu2ILP]+, 733 (77) [Cu3I2L]+, 695 (81) [CuP2]+, 670 (71) [CuLP]+.
DOI: 10.14272/zcxkbharxhskag-uhfffaoysa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H18NP.2C12H9O3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;;;;/h3-14H,1-2H3;2*1-9H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C-NMR (101 MHz, DMSO-d6) δ [ppm] = 151.4 (d, J = 13.3 Hz), 148.8 (d, J = 3.4 Hz), 144.8 (d, J = 38.7 Hz), 139.9 (s), 138.0 (bs), 133.5 (d, J = 13.8 Hz), 132.0 (bs), 129.3 (d, J = 8.3 Hz), 128.7 (d, J = 27.7 Hz), 125.2 (bs), 123.2 (d, J = 26.0 Hz), 111.1 (d, J = 8.1 Hz), 20.9 (s, 2C, CL(Me)), resonances could not be assigned due to low resolution even at 8192 ns (29C). Impurities: 2% H-grease, 3% unknown, 2% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/zcxkbharxhskag-uhfffaoysa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C19H18NP.2C12H9O3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;;;;/h3-14H,1-2H3;2*1-9H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 775 (11) [Cu2ILP]+, 733 (19) [Cu3I2L]+, 586 (9) [CuLP]+, 543 (52) [Cu2IL]+, 526 (13) [CuP2]+, 354 (63) [CuL]+.
DOI: 10.14272/zcxkbharxhskag-uhfffaoysa-l.1
title: C43H36Cu2I2NO6P3
title: InChI=1S/C19H18NP.2C12H9O3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;;;;/h3-14H,1-2H3;2*1-9H;;;2*1H/q;;;2*+1;;/p-2

description: This dataset contains experimental data from a sample (InChI=1S/C19H18NP.2C12H9O3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;;;;/h3-14H,1-2H3;2*1-9H;;;2*1H/q;;;2*+1;;/p-2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) process infrared absorption spectroscopy (IR) mass spectrometry (MS) single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/zcxkbharxhskag-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H18NP.2C12H9O3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;;;;/h3-14H,1-2H3;2*1-9H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 8.82 (bs, 1H, HL(Pyr)), 7.96 (s, 6H, HP), 7.93 (bs, 1H, HL(Pyr)), 7.63 (d, 3JHH = 6.9 Hz, 1H, HL(Pyr)), 7.55 (d, 3JHH = 6.5 Hz, 1H, HL(Pyr)), 7.33 (bs, 4H, HL(Tolyl)), 7.15 (d, 3JHH = 7.5 Hz, 4H, HL(Tolyl)), 7.08 (bs, 6H, HP), 6.55 (dt, 3JHH = 3.6 Hz, 3JHH = 1.9 Hz, 6H, HP), 2.30 (s, 6H, HL(Me)). Impurities: 2% H-grease, 3% unknown, 2% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/zcxkbharxhskag-uhfffaoysa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C19H18NP.2C12H9O3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;;;;/h3-14H,1-2H3;2*1-9H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 1497 (vw), 1454 (w), 1366 (vw), 1211 (w), 1157 (w), 1121 (w), 1094 (w), 1006 (m), 904 (w), 882 (w), 805 (w), 746 (m), 630 (w), 593 (w), 494 (m), 417 (w).
DOI: 10.14272/zcxkbharxhskag-uhfffaoysa-l/chmo0000159
title: single crystal X-ray diffraction (single-crystal X-ray diffraction) ()
title: InChI=1S/C19H18NP.2C12H9O3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;;;;/h3-14H,1-2H3;2*1-9H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/zcxkbharxhskag-uhfffaoysa-l/bfo0000015
title: process ()
title: InChI=1S/C19H18NP.2C12H9O3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;;;;/h3-14H,1-2H3;2*1-9H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for process 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −4.98 (bs, 1P, PL), −71.98 (bs, 2P, PP). Impurities:2% phosphine oxide of the ligands, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/tzukrlqsspyxrf-uhfffaoysa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/3C19H18NP.2Cu.2HI/c3*1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;;;;/h3*3-14H,1-2H3;;;2*1H/q;;;2*+1;;/p-2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 1505 (1) [Cu4I3L3]+, 1315 (2) [M+Cu]+, 1214 (8) [Cu4I3L2]+, 1126 (2) [M-I]+, 1024 (23) [Cu3I2L2]+, 834 (26) [Cu2IL2]+, 733 (24) [Cu3I2L]+, 645 (42) [CuL2]+, 543 (55) [Cu2IL]+, 354 (100) [CuL]+, 292 (12) [L+H]+, 200 (11) [L-Tolyl]+.
DOI: 10.14272/tzukrlqsspyxrf-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/3C19H18NP.2Cu.2HI/c3*1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;;;;/h3*3-14H,1-2H3;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 8.96 (bs, 3H, HL(Pyr)), 7.90 (t, 3JHH = 7.3 Hz, 3H, HL(Pyr)), 7.56 (bs, 3H, HL(Pyr)), 7.46 (d, 3JHH = 4.8 Hz, 3H, HL(Pyr)), 7.16 (bs, 12H, HL(Tolyl)), 7.09 (d, 3JHH = 7.4 Hz, 12H, HL(Tolyl)), 2.28 (s, 18H, HL(Me)). Impurities: 2% H-grease, 5% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/tzukrlqsspyxrf-uhfffaoysa-l/bfo0000015
title: process ()
title: InChI=1S/3C19H18NP.2Cu.2HI/c3*1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;;;;/h3*3-14H,1-2H3;;;2*1H/q;;;2*+1;;/p-2

description: dataset for process 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −6.62 (bs, 3P, PL). Impurities: 5% phosphine oxide of the ligands, note that the complex was not completely dissolved in the deuterated solvent.