1-D manganese(ii)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds.
Zhang, Guoqi; Zeng, Haisu; Li, Sihan; Johnson, Jahvon; Mo, Zixuan; Neary, Michelle C.; Zheng, Shengping; Dalton transactions (Cambridge, England : 2003) 49 (2020) 2610–2615; doi:10.1039/c9dt04637b

data_7703386
_publ_section_title
;
 1-D manganese(ii)-terpyridine coordination polymers as precatalysts for
 hydrofunctionalisation of carbonyl compounds.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2610
_journal_page_last               2615
_journal_paper_doi               10.1039/c9dt04637b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C20 H18 Cl2 Mn N4 O2'
_chemical_formula_weight         472.22
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-12-03 deposited with the CCDC.	2020-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.012(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
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_cell_length_b                   11.5794(11)
_cell_length_c                   10.6239(11)
_cell_measurement_reflns_used    6955
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      69.21
_cell_measurement_theta_min      3.82
_cell_volume                     1006.40(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'Bruker CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'MICRO fine-focus sealed tube'
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11286
_diffrn_reflns_theta_full        68.25
_diffrn_reflns_theta_max         69.24
_diffrn_reflns_theta_min         3.82
_exptl_absorpt_coefficient_mu    7.987
_exptl_absorpt_correction_T_max  0.5022
_exptl_absorpt_correction_T_min  0.3438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
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_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     3
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_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0434P)^2^+3.9610P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1400
_reflns_number_gt                1487
_reflns_number_total             1762
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt04637b2.cif
_cod_data_source_block           ymd808_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7703386--7703387.cif.
;
_cod_original_cell_volume        1006.40(17)
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               7703386