Di-μ-hydroxo-bis(diisopropylgallium)‒1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane (1/1)
Boag, Neil M.; Coward, Kathleen M.; Jones, Anthony C.; Pemble, Martyn E.; Thompson, J. Robin; Acta Crystallographica Section C 56 (2000) 1438–1439; doi:10.1107/S0108270100012816

data_2011618
_publ_section_title
;Di-\m-hydroxo-bis(diisopropylgallium)--1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane
 (1/1)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1438
_journal_page_last               1439
_journal_paper_doi               10.1107/S0108270100012816
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Ga2 (C3 H7 )4 (OH)2 ] , C14 H32 N4'
_chemical_formula_moiety         'C12 H30 Ga2 O2, C14 H32 N4'
_chemical_formula_sum            'C26 H62 Ga2 N4 O2'
_chemical_formula_weight         602.24
_chemical_name_systematic
;
  bis(\m ~2~-hydroxo)bis(diipropylgallium).
  1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.138(8)
_cell_angle_beta                 97.516(4)
_cell_angle_gamma                98.551(7)
_cell_formula_units_Z            1
_cell_length_a                   8.5877(7)
_cell_length_b                   9.7161(17)
_cell_length_c                   11.1425(10)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      15.04
_cell_measurement_theta_min      5.44
_cell_volume                     826.92(19)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1996)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'SHELXTL-Plus (Siemens, 1995)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full .962
_diffrn_measured_fraction_theta_max .962
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       'profile fitting of \q/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0179
_diffrn_reflns_av_sigmaI/netI    .0328
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4385
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        5
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.654
_exptl_absorpt_correction_T_max  .661
_exptl_absorpt_correction_T_min  .568
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(XPREP in SHELXTL-Plus; Siemens 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_max          .45
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .25
_refine_diff_density_max         .335
_refine_diff_density_min         -.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.036
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         3645
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          .0319
_refine_ls_R_factor_gt           .0263
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .0654
_refine_ls_wR_factor_ref         .0654
_reflns_number_gt                3277
_reflns_number_total             3645
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jz1426.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        826.92(18)
_cod_database_code               2011618