Reactions of the triply-bonded complex cis-Re2(�-O2CCH3)2Cl2(�-dppm)2 with pyridine carboxylic acids. The isolation and structural characterization of a third structural isomer of Re2(dipic)Cl2(�-dppm)2 (dipic = pyridine-2,6-dicarboxylate)
Chattopadhyay, Swarup; Fanwick, Phillip E.; Walton, Richard A.; Dalton Transactions  (2003) 3617–; doi:10.1039/b306331n

data_7013309
_publ_section_title
;
 Reactions of the triply-bonded complex
 cis-Re2(&#xFFFD;-O2CCH3)2Cl2(&#xFFFD;-dppm)2 with pyridine carboxylic
 acids. The isolation and structural characterization of a third
 structural isomer of Re2(dipic)Cl2(&#xFFFD;-dppm)2 (dipic =
 pyridine-2,6-dicarboxylate)
;
_journal_issue                   18
_journal_name_full               'Dalton Transactions'
_journal_page_first              3617
_journal_paper_doi               10.1039/b306331n
_journal_year                    2003
_chemical_formula_moiety         'C62 H50 N2 O6 P4 Re2,H2 O1'
_chemical_formula_sum            'C62 H50 N2 O7 P4 Re2'
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_chemical_name_systematic        ' ?'
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_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
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_audit_creation_method           from_MolEN_and_SHELXL
_audit_update_record             ' ?'
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_cell_angle_beta                 104.8157(10)
_cell_angle_gamma                90.00
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_cell_length_b                   21.3705(4)
_cell_length_c                   23.4450(5)
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_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2
_cell_volume                     5890.4(2)
_computing_cell_refinement       DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_data_collection       Collect_(Nonius,_1998)
_computing_data_reduction        DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_molecular_graphics
;
ORTEP (Johnson, 1976)
PLATON (Spek, 1997)
;
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
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_diffrn_measured_fraction_theta_full 0.9580
_diffrn_measured_fraction_theta_max 0.8568
_diffrn_measurement_device_type  Nonius_KappaCCD
_diffrn_measurement_method       \w
_diffrn_radiation_type           MO-K\a
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_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            44542
_diffrn_reflns_theta_full        15.9
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    4.320
_exptl_absorpt_correction_T_max  0.3396
_exptl_absorpt_correction_T_min  0.2374
_exptl_absorpt_correction_type   multi-scan_(Otwinowski_&_Minor,_
_exptl_crystal_colour            'dark orange'
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_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[\s^2^(Fo^2^)+(0.0488P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3  '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.084
_reflns_number_gt                11304
_reflns_number_total             13920
_reflns_threshold_expression     >2.0\s(I)
_cod_data_source_file            b306331n.txt
_cod_data_source_block           SWCH15
_cod_depositor_comments
;
The following automatic conversions were performed:
'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc' 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 
;
_cod_original_cell_volume        5890.42(19)
_cod_database_code               7013309