Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).
Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 17758–17771; doi:10.1039/d0dt03391j

data_7705798
_publ_section_title
;
 Topotactic desolvation and condensation reactions of 3D
 Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>&#x00B7;S
 (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17758
_journal_page_last               17771
_journal_paper_doi               10.1039/d0dt03391j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C6 H6 F7 N9 Ti Zn3'
_chemical_formula_sum            'C6 H6 F7 N9 Ti Zn3'
_chemical_formula_weight         581.24
_space_group_IT_number           8
_space_group_name_Hall           'C -2y'
_space_group_name_H-M_alt        'C 1 m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_audit_update_record
;
2020-09-21 deposited with the CCDC.	2020-11-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 102.4658(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   11.1990(3)
_cell_length_b                   10.6391(3)
_cell_length_c                   7.3676(2)
_cell_measurement_temperature    296
_cell_volume                     857.13(4)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      296
_diffrn_measurement_device_type  'Panalytical XPERT-PRO'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54175
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_colour            white
_exptl_crystal_description       microcristalline
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.016712
_pd_meas_2theta_range_max        99.99150
_pd_meas_2theta_range_min        5.12162
_pd_meas_number_of_points        5678
_pd_proc_2theta_range_inc        0.016712
_pd_proc_2theta_range_max        99.9083
_pd_proc_2theta_range_min        5.0384
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.3931
_pd_proc_ls_prof_wR_expected     2.3140
_pd_proc_ls_prof_wR_factor       4.4145
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.9078
_refine_ls_number_parameters     92
_refine_ls_number_reflns         1021
_refine_ls_number_restraints     6
_refine_ls_R_I_factor            2.5793
_cod_data_source_file            d0dt03391j2.cif
_cod_data_source_block           Zn3TiF7(taz)3
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '__chemical_formula_moiety' was replaced with
'_chemical_formula_moiety'.

Automatic conversion script
Id: cif_correct_tags 7550 2019-12-06 10:49:48Z antanas 

The following automatic conversions were performed:

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 7705796--7705801.cif.
;
_cod_original_sg_symbol_H-M      'C m'
_cod_database_code               7705798
_pd_proc_ls_prof_cr_factor       7.7226
_pd_proc_ls_prof_cwr_factor      7.8912
_pd_proc_ls_prof_cwr_expected    4.1364
_pd_proc_ls_prof_chi2            3.6396
_pd_proc_ls_prof_echi2           3.7609