Ruthenium(II) carbonyl amidates - a new class of precursors for atomic layer deposition.
Obenlüneschloß, Jorit; Nies, Cara-Lena; Gock, Michael; Unkrig-Bau, Michael; Huster, Jan-Niklas; Nolan, Michael; Devi, Anjana; Dalton transactions (Cambridge, England : 2003) 55 (2026) 4046–4050; doi:10.1039/d5dt02610e

data_7720638
_publ_section_title
;
 Ruthenium(II) carbonyl amidates - a new class of precursors for atomic
 layer deposition.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4046
_journal_page_last               4050
_journal_paper_doi               10.1039/d5dt02610e
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C18 H32 N2 O4 Ru'
_chemical_formula_sum            'C18 H32 N2 O4 Ru'
_chemical_formula_weight         441.52
_chemical_melting_point          347
_chemical_name_common            'Ruthenium dicarbonyl bisamidate'
_chemical_name_systematic        Ru(iPrtBuAD)2(CO)2
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2025-09-13
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_audit_update_record
;
2025-09-13 deposited with the CCDC.	2026-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                96.0780(10)
_cell_angle_beta                 99.1580(10)
_cell_angle_gamma                114.4300(10)
_cell_formula_units_Z            2
_cell_length_a                   8.56440(10)
_cell_length_b                   8.88060(10)
_cell_length_c                   16.15620(10)
_cell_measurement_reflns_used    29281
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.2420
_cell_measurement_theta_min      2.8320
_cell_volume                     1084.17(2)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w     31.00 126.00   0.50    0.05    --   54.00  77.00 -57.36  190
  2  \w     44.00  69.00   0.50    0.05    --   66.00  77.00-136.99   50
  3  \w     44.00  69.00   0.50    0.05    --   66.00  77.00-173.97   50
  4  \w     31.00 126.00   0.50    0.05    --   54.00  77.00-170.96  190
  5  \w    114.00 139.00   0.50    0.05    --   66.00  77.00-173.97   50
  6  \w     36.00 131.00   0.50    0.05    --   58.00  76.00-144.89  190
  7  \w     32.00 126.00   0.50    0.05    --   54.00  76.00-116.73  188
  8  \w     40.00 135.00   0.50    0.05    --   62.00  75.00   3.05  190
  9  \w     44.00  71.00   0.50    0.05    --   66.00  75.00  60.40   54
 10  \w     37.00 131.00   0.50    0.05    --   58.00  73.00  57.82  188
 11  \w     41.00 135.00   0.50    0.05    --   62.00  73.00  28.41  188
 12  \w     33.00 126.00   0.50    0.05    --   54.00  72.00  -1.66  186
 13  \w     93.00 178.00   0.50    0.05    --  105.91  47.00 -96.00  170
 14  \w     34.00 120.00   0.50    0.05    --   47.03  47.00 -96.00  172
 15  \w    -65.00 -20.00   0.50    0.05    --  -91.75  61.00  60.00   90
 16  \w    -50.00 -19.00   0.50    0.05    --  -91.75  47.00 -96.00   62
 17  \w    -47.00 -21.00   0.50    0.05    --  -91.75  45.00-150.00   52
 18  \w    -46.00 -21.00   0.50    0.05    --  -91.75  45.00-180.00   50
 19  \w    -50.00  25.00   0.50    0.05    --  -47.03  47.00 -96.00  150
 20  \w    -17.00  14.00   0.50    0.05    --   18.00 102.00 -88.04   62
 21  \w     -7.00  27.00   0.50    0.05    --   26.00  98.00 -39.75   68
 22  \w     -3.00  27.00   0.50    0.05    --   30.00  98.00   9.35   60
 23  \w      9.00  43.00   0.50    0.05    --   38.00  90.00  24.93   68
 24  \w    -14.00  28.00   0.50    0.05    --   18.00  97.00 113.12   84
 25  \w     17.00  43.00   0.50    0.05    --   46.00  90.00  99.72   52
 26  \w     14.00  43.00   0.50    0.05    --   42.00  89.00  31.14   58
 27  \w     14.00  43.00   0.50    0.05    --   42.00  89.00-174.11   58
 28  \w     41.00 106.00   0.50    0.05    --  105.91 -94.00  90.00  130
 29  \w     35.00 103.00   0.50    0.05    --  105.91-125.00  30.00  136
 30  \w     34.00 107.00   0.50    0.05    --  105.91-105.00  81.42  146
 31  \w     34.00  95.00   0.50    0.05    --   47.03-125.00 -30.00  122
 32  \w     83.00 111.00   0.50    0.05    --  105.91-125.00 -60.00   56
 33  \w     70.00  97.00   0.50    0.05    --  105.91 -94.00-120.00   54
 34  \w     36.00  68.00   0.50    0.05    --  105.91 -94.00-120.00   64
 35  \w     34.00  95.00   0.50    0.05    --  105.91 -94.00-150.00  122
 36  \w     34.00 105.00   0.50    0.05    --  105.91 -94.00 -30.00  142
 37  \w     42.00  79.00   0.50    0.05    --  105.91 -94.00 150.00   74
 38  \w     76.00 102.00   0.50    0.05    --  105.91 -77.00 120.00   52
 39  \w     46.00  74.00   0.50    0.05    --  105.91 -61.00 120.00   56
 40  \w     33.00  59.00   0.50    0.05    --  105.91 -77.00 120.00   52
 41  \w     34.00  73.00   0.50    0.05    --  105.91 -61.00 -90.00   78
 42  \w     34.00  68.00   0.50    0.05    --  105.91 -61.00-120.00   68
 43  \w    -24.00  56.00   0.50    0.05    --   47.03 -47.00 114.00  160
 44  \w   -121.00 -34.00   0.50    0.05    --  -47.03 -19.00   0.00  174
 45  \w   -119.00 -24.00   0.50    0.05    --  -47.03 -77.00-120.00  190
 46  \w   -119.00 -24.00   0.50    0.05    --  -47.03 -77.00 -60.00  190
 47  \w    -85.00 -24.00   0.50    0.05    --  -91.75 125.00 -30.00  122
 48  \w   -118.00 -34.00   0.50    0.05    --  -47.03 -47.00 114.00  168
 49  \w    -98.00 -71.00   0.50    0.05    --  -91.75 -77.00   0.00   54
 50  \w   -141.00-115.00   0.50    0.05    --  -91.75 -77.00   0.00   52
 51  \w   -101.00 -74.00   0.50    0.05    --  -91.75 -77.00-120.00   54
 52  \w    -95.00 -69.00   0.50    0.05    --  -91.75 -77.00 -90.00   52
 53  \w   -138.00-101.00   0.50    0.05    --  -91.75 -77.00 -90.00   74
 54  \w   -154.00-127.00   0.50    0.05    --  -91.75 -77.00-120.00   54
 55  \w   -160.00-133.00   0.50    0.05    --  -91.75 -74.00 -68.61   54
 56  \w   -162.00 -70.00   0.50    0.05    --  -91.75 -74.00-109.88  184
 57  \w    -97.00 -69.00   0.50    0.05    --  -91.75 -76.00 -55.90   56
 58  \w    -77.00 -52.00   0.50    0.05    --  -74.00 -74.00 -34.40   50
 59  \w   -162.00 -70.00   0.50    0.05    --  -91.75 -74.00  78.86  184
 60  \w   -159.00 -70.00   0.50    0.05    --  -91.75 -77.00 120.00  178
 61  \w    -82.00 -56.00   0.50    0.05    --  -78.00 -74.00 118.12   52
 62  \w   -135.00 -39.00   0.50    0.05    --  -62.00 -76.00  89.91  192
 63  \w   -162.00-107.00   0.50    0.05    --  -91.75 -74.00  31.74  110
 64  \w    -97.00 -71.00   0.50    0.05    --  -91.75 -74.00  31.74   52
 65  \w   -143.00 -71.00   0.50    0.05    --  -91.75 -73.00 163.75  144
 66  \w    -84.00 -58.00   0.50    0.05    --  -78.00 -73.00  93.89   52
 67  \w   -135.00 -41.00   0.50    0.05    --  -62.00 -73.00  66.65  188
 68  \w   -143.00-116.00   0.50    0.05    --  -74.00 -74.00 -34.40   54
 69  \w   -113.00 -70.00   0.50    0.05    --  -91.75 -74.00 -68.61   86
 70  \w    -96.00 -71.00   0.50    0.05    --  -91.75 -73.00 -52.40   50
 71  \w    -89.00 -62.00   0.50    0.05    --  -82.00 -73.00 -50.95   54
 72  \w    -79.00 -53.00   0.50    0.05    --  -74.00 -72.00 -68.20   52
 73  \w    -85.00 -58.00   0.50    0.05    --  -78.00 -72.00-146.43   54
 74  \w   -159.00 -69.00   0.50    0.05    --  -90.00 -73.00-165.48  180
 75  \w   -162.00-116.00   0.50    0.05    --  -91.75 -73.00 -52.40   92
 76  \w   -149.00-124.00   0.50    0.05    --  -78.00 -72.00-146.43   50
 77  \w    -89.00 -62.00   0.50    0.05    --  -82.00 -72.00  15.98   54
 78  \w    -84.00 -57.00   0.50    0.05    --  -78.00 -72.00 -12.19   54
 79  \w    -91.00 -65.00   0.50    0.05    --  -86.00 -72.00  46.20   52
 80  \w   -130.00 -72.00   0.50    0.05    --  -91.75 -71.00  67.73  116
 81  \w    -92.00 -65.00   0.50    0.05    --  -86.00 -73.00 171.50   54
 82  \w   -150.00 -71.00   0.50    0.05    --  -91.75 -72.00 126.51  158
 83  \w   -158.00-130.00   0.50    0.05    --  -86.00 -72.00  46.20   56
 84  \w   -134.00-109.00   0.50    0.05    --  -91.75 -70.00 179.02   50
 85  \w    -76.00 -46.00   0.50    0.05    --  -66.00 -70.00 112.62   60
 86  \w   -148.00 -74.00   0.50    0.05    --  -91.75 -70.00 146.90  148
 87  \w    -90.00 -63.00   0.50    0.05    --  -82.00 -70.00   1.81   54
 88  \w   -129.00-103.00   0.50    0.05    --  -66.00 -70.00 112.62   52
 89  \w    -84.00 -57.00   0.50    0.05    --  -78.00 -72.00 -98.98   54
 90  \w    -72.00 -46.00   0.50    0.05    --  -66.00 -70.00-105.79   52
 91  \w    -87.00 -62.00   0.50    0.05    --  -82.00 -71.00-177.40   50
 92  \w   -150.00-124.00   0.50    0.05    --  -82.00 -71.00-177.40   52
 93  \w    -74.00 -47.00   0.50    0.05    --  -66.00 -69.00 -66.86   54
 94  \w    -73.00 -46.00   0.50    0.05    --  -66.00 -69.00-131.35   54
 95  \w    -99.00 -73.00   0.50    0.05    --  -91.75 -67.00-154.33   52
 96  \w   -163.00-108.00   0.50    0.05    --  -91.75 -70.00 -23.12  110
 97  \w   -105.00 -74.00   0.50    0.05    --  -91.75 -70.00 -23.12   62
 98  \w    -96.00 -69.00   0.50    0.05    --  -86.00 -64.00 -99.44   54
 99  \w   -102.00 -64.00   0.50    0.05    --  -82.00 -64.00-140.60   76
100  \w   -114.00 -74.00   0.50    0.05    --  -91.75 -63.00-149.40   80
101  \w    -82.00 -56.00   0.50    0.05    --  -74.00 -66.00  44.66   52
102  \w    -92.00 -65.00   0.50    0.05    --  -82.00 -63.00  65.97   54
103  \w   -107.00 -72.00   0.50    0.05    --  -91.75 -70.00 179.02   70
104  \w    -75.00 -48.00   0.50    0.05    --  -66.00 -66.00 134.75   54
105  \w   -163.00 -79.00   0.50    0.05    --  -91.75 -47.00 114.00  168
106  \w   -160.00-133.00   0.50    0.05    --  -91.75 -62.00  -6.16   54
107  \w   -162.00 -89.00   0.50    0.05    --  -91.75 -30.00   0.00  146
108  \w    -83.00 -57.00   0.50    0.05    --  -74.00 -63.00  -0.40   52
109  \w   -113.00 -75.00   0.50    0.05    --  -91.75 -62.00  -6.16   76
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0419226000
_diffrn_orient_matrix_UB_12      0.1343018000
_diffrn_orient_matrix_UB_13      -0.0567261000
_diffrn_orient_matrix_UB_21      0.1685730000
_diffrn_orient_matrix_UB_22      -0.0172796000
_diffrn_orient_matrix_UB_23      -0.0089099000
_diffrn_orient_matrix_UB_31      -0.1045227000
_diffrn_orient_matrix_UB_32      -0.1390794000
_diffrn_orient_matrix_UB_33      -0.0799048000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0653
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            37602
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.957
_diffrn_reflns_theta_min         2.822
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    6.032
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.181
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_description       block
_exptl_crystal_F_000             460
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexane'
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.503
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3957
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0238
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+0.8938P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0615
_refine_ls_wR_factor_ref         0.0617
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3888
_reflns_number_total             3957
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt02610e2.cif
_cod_data_source_block           jo-hp-051_4_auto
_cod_database_code               7720638
_shelx_shelxl_version_number     2019/3
_chemical_oxdiff_formula         RuO2N2C16H32
_shelx_estimated_absorpt_t_max   0.314
_shelx_estimated_absorpt_t_min   0.177
_diffrn_oxdiff_digest_hkl
;
01b1451a82aecfe67970518cb2dbdbf816e1e7
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C14(H14), C6(H6)
2.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C7(H7A,H7B,H7C), C3(H3A,H3B,
 H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C)
;
_shelx_res_checksum              84331
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.964
_oxdiff_exptl_absorpt_empirical_full_min 0.641