Homoleptic Gadolinium Amidinates as Precursors for MOCVD of Oriented Gadolinium Nitride (GdN) Thin Films
Michael Krasnopolski; Cristian G. Hrib; Rüdiger W. Seidel; Manuela Winter; Hans-Werner Becker; Detlef Rogalla; Roland A. Fischer; Frank T. Edelmann; Anjana Devi; Inorganic Chemistry 52 (2013) 286–296; doi:10.1021/ic301826s

data_4331680
_publ_contact_author
;
        Anjana Devi 
        Lehrstuhl f\"ur Anorganische Chemie II
        Ruhr-Universit\"at Bochum
        Universit\"atsstrasse 150
        44780 Bochum
        Bundesrepublik Deutschland
;
_publ_contact_author_email       anjana.devi@rub.de
_publ_contact_author_fax         '049 234 321-4174'
_publ_contact_author_phone       '049 234 32-24150'
_publ_section_title
;
 Homoleptic Gadolinium Amidinates as Precursors for MOCVD of Oriented
 Gadolinium Nitride (GdN) Thin Films
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              286
_journal_page_last               296
_journal_paper_doi               10.1021/ic301826s
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C33 H69 Gd N6, 0.5(C5 H12)'
_chemical_formula_sum            'C35.5 H75 Gd N6'
_chemical_formula_weight         743.27
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 92.061(4)
_cell_angle_gamma                107.022(4)
_cell_formula_units_Z            4
_cell_length_a                   11.4022(5)
_cell_length_b                   19.3686(11)
_cell_length_c                   21.2344(16)
_cell_measurement_reflns_used    6975
_cell_measurement_temperature    106(2)
_cell_measurement_theta_max      28.7773
_cell_measurement_theta_min      2.8800
_cell_volume                     3963.2(5)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_publication_material  'enCIfer (Allen et al., 2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      106(2)
_diffrn_detector_area_resol_mean 8.4171
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.827
_diffrn_measurement_device_type  'Xcalibur^TM^2, Oxford Diffraction'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) x-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0861
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            19257
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.91
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    1.703
_exptl_absorpt_correction_T_max  0.6658
_exptl_absorpt_correction_T_min  0.6380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_description       prism
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.291
_refine_diff_density_min         -1.543
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     759
_refine_ls_number_reflns         19257
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0457P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.0935
_reflns_number_gt                14134
_reflns_number_total             19257
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301826s_si_003_1.cif
_cod_data_source_block           cvd361
_cod_original_cell_volume        3963.2(4)
_cod_original_formula_sum        'C35.50 H75 Gd N6'
_cod_database_code               4331680