LMucko/crystallography-open-database huggingface dataset:
Crystal structure of Co(II)/Zn(II) coordination polymers supported by 1,3-bis(4-pyridyl)propane, {[Co(ClO~4~)~2~(C~13~H~14~N~2~)~2~] · 2C~6~H~6~}~n~ and {[Zn(ClO~4~)~2~(C~13~H~14~N~2~)~2~] · 2C~6~H~6~}~n~
Bujici, T. Mary; Wang, Xiao-Tai; Li, Shou-Jian; Zheng, Chong; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 148–150; doi:10.1524/ncrs.2003.218.jg.148

data_8100244
_publ_section_title
;
Crystal structure of Co(II)/Zn(II) coordination polymers supported 
by 1,3-bis(4-pyridyl)propane, {[Co(ClO~4~)~2~(C~13~H~14~N~2~)~2~] 
&#x00B7; 2C~6~H~6~}~n~ and {[Zn(ClO~4~)~2~(C~13~H~14~N~2~)~2~] 
&#x00B7; 2C~6~H~6~}~n~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              148
_journal_page_last               150
_journal_paper_doi               10.1524/ncrs.2003.218.jg.148
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural
'[[Co(NO3)2 (C13 H14 N2)2] &#x00B7; 2C6 H6]n~.'
_chemical_formula_sum            'C38 H40 Cl2 Co N4 O8'
_chemical_formula_weight         810.57
_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                110.216(4)
_cell_angle_beta                 90.116(4)
_cell_angle_gamma                110.499(4)
_cell_formula_units_Z            1
_cell_length_a                   9.142(2)
_cell_length_b                   10.582(3)
_cell_length_c                   11.491(3)
_cell_measurement_temperature    293(2)
_cell_volume                     967.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.391
_cod_depositor_comments
;
Changed '_atom_site_symmetry_multiplicity' tag to 
'_atom_site_site_symmetry_multiplicity'. Added missing 
'_atom_site_Wyckoff_symbol' tag and missing values in 
the '_atom_site' loop after consulting the original paper.

Antanas Vaitkus,
2015-03-19
;
_cod_database_code               8100244
Crystal structure of Co(II)/Zn(II) coordination polymers supported by 1,3-bis(4-pyridyl)propane, {[Co(ClO~4~)~2~(C~13~H~14~N~2~)~2~] · 2C~6~H~6~}~n~ and {[Zn(ClO~4~)~2~(C~13~H~14~N~2~)~2~] · 2C~6~H~6~}~n~
Bujici, T. Mary; Wang, Xiao-Tai; Li, Shou-Jian; Zheng, Chong; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 148–150; doi:10.1524/ncrs.2003.218.jg.148

data_8100245
_publ_section_title
;
Crystal structure of Co(II)/Zn(II) coordination polymers supported 
by 1,3-bis(4-pyridyl)propane, {[Co(ClO~4~)~2~(C~13~H~14~N~2~)~2~] 
&#x00B7; 2C~6~H~6~}~n~ and {[Zn(ClO~4~)~2~(C~13~H~14~N~2~)~2~] 
&#x00B7; 2C~6~H~6~}~n~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              148
_journal_page_last               150
_journal_paper_doi               10.1524/ncrs.2003.218.jg.148
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     '[[Zn(NO3)2 (C13 H14 N2)2] &#x00B7; 2C6 H6]n'
_chemical_formula_sum            'C38 H40 Cl2 N4 O8 Zn'
_chemical_formula_weight         817.01
_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                69.381(6)
_cell_angle_beta                 89.914(7)
_cell_angle_gamma                69.338(7)
_cell_formula_units_Z            1
_cell_length_a                   9.160(3)
_cell_length_b                   10.587(4)
_cell_length_c                   11.457(4)
_cell_measurement_temperature    293(2)
_cell_volume                     963.4(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.408
_cod_depositor_comments
;
Changed '_atom_site_symmetry_multiplicity' tag to 
'_atom_site_site_symmetry_multiplicity'. Added missing 
'_atom_site_Wyckoff_symbol' tag and missing values in 
the '_atom_site' loop after consulting the original paper.

Antanas Vaitkus,
2015-03-19
;
_cod_database_code               8100245
Crystal structure of Co(II)/Zn(II) coordination polymers supported by 1,3-bis(4-pyridyl)propane, {[Co(ClO~4~)~2~(C~13~H~14~N~2~)~2~] · 2C~6~H~6~}~n~ and {[Zn(ClO~4~)~2~(C~13~H~14~N~2~)~2~] · 2C~6~H~6~}~n~
Bujici, T. Mary; Wang, Xiao-Tai; Li, Shou-Jian; Zheng, Chong; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 148–150; doi:10.1524/ncrs.2003.218.jg.148

data_8100246
_publ_section_title
;
Crystal structure of Co(II)/Zn(II) coordination polymers supported 
by 1,3-bis(4-pyridyl)propane, {[Co(ClO~4~)~2~(C~13~H~14~N~2~)~2~] 
&#x00B7; 2C~6~H~6~}~n~ and {[Zn(ClO~4~)~2~(C~13~H~14~N~2~)~2~] 
&#x00B7; 2C~6~H~6~}~n~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              148
_journal_page_last               150
_journal_paper_doi               10.1524/ncrs.2003.218.jg.148
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     '[[Zn(NO3)2 (C13 H14 N2)2] &#x00B7; 2C6 H6]n'
_chemical_formula_sum            'C38 H40 Cl2 N4 O8 Zn'
_chemical_formula_weight         817.01
_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                69.381(6)
_cell_angle_beta                 89.914(7)
_cell_angle_gamma                69.338(7)
_cell_formula_units_Z            1
_cell_length_a                   9.160(3)
_cell_length_b                   10.587(4)
_cell_length_c                   11.457(4)
_cell_measurement_temperature    293(2)
_cell_volume                     963.4(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.408
_cod_duplicate_entry             8100245
_cod_database_code               8100246
Crystal structure of N-[1',1'-(diphenyl)-hydroxymethyl]-3(S)-[1'(R)- hydroxyethyl]-4(S)-(t-butyl-oxomethyl)-azetidin-2-one, C~23~H~27~NO~4~, an unexpectedly stable intermediate in the photochemical cleavage of N-benzhydryl protecting group
Tinant, B.; Laurent, M.; Cérésiat, M.; Marchand-Brynaert, J.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 145–147; doi:

data_8100247
_publ_section_title
;
Crystal structure of N-[1',1'-(diphenyl)-hydroxymethyl]-3(S)-[1'(R)-
hydroxyethyl]-4(S)-(t-butyl-oxomethyl)-azetidin-2-one, C~23~H~27~NO~4~, 
an unexpectedly stable intermediate in the photochemical cleavage 
of N-benzhydryl protecting group
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              145
_journal_page_last               147
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C23 H27 N O4'
_chemical_formula_sum            'C23 H27 N O4'
_chemical_formula_weight         381.46
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.75(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.356(2)
_cell_length_b                   17.418(5)
_cell_length_c                   9.586(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1042.6(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.215
_refine_diff_density_rms         0.038
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C23 H27 N1 O4'
_cod_database_code               8100247
Crystal structure of bis(2-chloro-6-fluorobenzoato)bis(pyridine)copper (II), Cu(C~7~H~3~ClFO~2~)~2~(C~5~NH~5~)~2~
Valach, Fedor; Saunders, Andrew; Cowley, Andrew; Watkin, David John; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 31–32; doi:

data_8100248
_publ_section_title
;
Crystal structure of bis(2-chloro-6-fluorobenzoato)bis(pyridine)copper
(II), Cu(C~7~H~3~ClFO~2~)~2~(C~5~NH~5~)~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              31
_journal_page_last               32
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C24 H16 Cl2 Cu F2 N2 O4'
_chemical_formula_structural     'Cu(C7 H3 ClFO2)2 (C5 NH5)2'
_chemical_formula_sum            'C24 H16 Cl2 Cu F2 N2 O4'
_chemical_formula_weight         568.84
_chemical_name_common
;
Bis(2-chloro-6-fluorobenzoato)bis(pyridyne)copper(II) complex
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.51(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.119(2)
_cell_length_b                   20.845(6)
_cell_length_c                   8.316(2)
_cell_measurement_temperature    190
_cell_volume                     1194.7(6)
_diffrn_ambient_temperature      190
_exptl_crystal_density_diffrn    1.581
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100248
Crystal structure of ethyl Z-2-[2-amino-4-oxo-1,3-thiazol-5(4H)-yliden]- acetate, C~7~H~8~N~2~O~3~S
Ramazani, Ali; Morsali, Ali; Soudi, Ali Akbar; Souldozi, Ali; Starikova, Z. A.; Yanovsky, Alex; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 33–34; doi:

data_8100249
_publ_section_title
;
Crystal structure of ethyl Z-2-[2-amino-4-oxo-1,3-thiazol-5(4H)-yliden]-
acetate, C~7~H~8~N~2~O~3~S
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              33
_journal_page_last               34
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C7 H8 N2 O3 S'
_chemical_formula_structural     'C7 H8 N2 O3 S1'
_chemical_formula_sum            'C7 H8 N2 O3 S'
_chemical_formula_weight         200.21
_chemical_melting_point          239
_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                84.455(4)
_cell_angle_beta                 72.175(2)
_cell_angle_gamma                67.277(2)
_cell_formula_units_Z            2
_cell_length_a                   4.1057(9)
_cell_length_b                   10.394(2)
_cell_length_c                   11.000(2)
_cell_measurement_temperature    110(2)
_cell_volume                     412.09(15)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.614
_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 
;
_cod_original_formula_sum        'C7 H8 N2 O3 S1'
_cod_database_code               8100249
Crystal structure of 3-hydroxy-4-cyano-5-methylthiopyrazole, C~5~H~5~N~3~OS
Capparelli, Mario V.; Avila, Rosario; Charris, Jaime E.; Domínguez, José N.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 35–36; doi:

data_8100250
_publ_section_title
;
Crystal structure of 3-hydroxy-4-cyano-5-methylthiopyrazole, C~5~H~5~N~3~OS
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              35
_journal_page_last               36
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C5 H5 N3 OS'
_chemical_formula_sum            'C5 H5 N3 O S'
_chemical_formula_weight         155.18
_chemical_melting_point          523
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.821(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.5136(2)
_cell_length_b                   13.5364(6)
_cell_length_c                   11.4552(5)
_cell_measurement_temperature    298(2)
_cell_volume                     699.04(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.474
_refine_diff_density_rms         0.071
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C5 H5 N3 O1 S1'
_cod_database_code               8100250
Crystal structure of di[tris(hydroxymethylene)methaneammonium] oxalate monohydrate, (C~4~H~12~NO~3~)~2~(C~2~O~4~) · H~2~O
Stepniak, Krystyna; Lis, Tadeusz; Kozioł, Anna E.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 37–38; doi:

data_8100251
_publ_section_title
;
Crystal structure of di[tris(hydroxymethylene)methaneammonium] oxalate 
monohydrate, (C~4~H~12~NO~3~)~2~(C~2~O~4~) &#x00B7; H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              37
_journal_page_last               38
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         '2 [C4 H12 N O3]+ [C2 O4]-2 H2O'
_chemical_formula_structural     '(C4 H12 N O3)2 (C2 O4) &#x00B7; H2 O'
_chemical_formula_sum            'C10 H26 N2 O11'
_chemical_formula_weight         350.33
_chemical_name_common            'TRIS oxalate'
_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                82.16(9)
_cell_angle_beta                 85.33(10)
_cell_angle_gamma                62.55(11)
_cell_formula_units_Z            1
_cell_length_a                   6.235(9)
_cell_length_b                   6.429(8)
_cell_length_c                   10.917(14)
_cell_measurement_temperature    120(2)
_cell_volume                     384.6(9)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.512
_cod_database_code               8100251
Crystal structure of ((1R)-1,2-((4S)-4-benzyl-2-oxo-oxazolidine-3- yl)-(1S)-1-methyl-2-oxo-ethoxy]-tert-butyl-amino-2,2-dimethyl-propyl)- phosphonic acid diethylester, C~26~H~43~N~2~O~7~P
Leroi, Corinne; Ciufolini, Marco A.; Perrin, Monique; Grosvallet, Laurent; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 39–40; doi:

data_8100252
_publ_section_title
;
Crystal structure of ((1R)-1,2-((4S)-4-benzyl-2-oxo-oxazolidine-3-
yl)-(1S)-1-methyl-2-oxo-ethoxy]-tert-butyl-amino-2,2-dimethyl-propyl)-
phosphonic acid diethylester, C~26~H~43~N~2~O~7~P
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              39
_journal_page_last               40
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C26 H43 N2 O7 P'
_chemical_formula_structural     'C26 H43 N2 O7 P'
_chemical_formula_sum            'C26 H43 N2 O7 P'
_chemical_formula_weight         526.59
_chemical_melting_point          433
_chemical_name_common            'PEP SG1'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.09(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3109(17)
_cell_length_b                   10.888(2)
_cell_length_c                   15.665(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1406.7(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.243
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '433 K' was changed to '433' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C26 H43 N2 O7 P1'
_cod_database_code               8100252
Crystal structure of bis((μ~2~-chloro)-diethylenetriamine-copper (II)) monohydrate dichloride, [(dien)~2~Cu~2~Cl~2~(H~2~O)]Cl~2~
Zhu, Hai-Liang; Liu, Hua-Li; Li, Yong-Hui; Yu, Kai-Bei; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 41–42; doi:

data_8100253
_publ_section_title
;
Crystal structure of bis((\m~2~-chloro)-diethylenetriamine-copper
(II)) monohydrate dichloride, [(dien)~2~Cu~2~Cl~2~(H~2~O)]Cl~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              41
_journal_page_last               42
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         '[(dien)2 Cu2 Cl2 (H2 O)]Cl2'
_chemical_formula_sum            'C8 H28 Cl4 Cu2 N6 O'
_chemical_formula_weight         493.24
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.26(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.721(1)
_cell_length_b                   14.606(2)
_cell_length_c                   10.304(1)
_cell_measurement_temperature    296(2)
_cell_volume                     1007.3(2)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.626
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      'P 21/m'
_cod_database_code               8100253
Crystal structure of bis(diethylenetriamino)nickel(II) dinitrate, [Ni(dien)~2~](NO~3~)~2~
Zhu, Hai-Liang; Li, Su-Yue; Pan, Yong-Jun; Yu, Kai-Ben; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 43–44; doi:

data_8100254
_publ_section_title
;
Crystal structure of bis(diethylenetriamino)nickel(II) dinitrate, 
[Ni(dien)~2~](NO~3~)~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              43
_journal_page_last               44
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     '[Ni(dien)2](NO3)2'
_chemical_formula_sum            'C8 H26 N8 Ni O6'
_chemical_formula_weight         389.08
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.61(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.351(2)
_cell_length_b                   8.931(1)
_cell_length_c                   14.207(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1692.3(4)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.527
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100254
Crystal structure of chlorobis(η^5^-pentamethylcyclopentadienyl) (η^1^-2-propenyl)zirconium, C~23~H~35~ClZr
Ernst, Richard D.; Harvey, Benjamin G.; Arif, Atta M.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 47–48; doi:

data_8100255
_publ_section_title
;
Crystal structure of chlorobis(\h^5^-pentamethylcyclopentadienyl)
(\h^1^-2-propenyl)zirconium, C~23~H~35~ClZr
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              47
_journal_page_last               48
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C23 H35 Cl Zr'
_chemical_formula_sum            'C23 H35 Cl Zr'
_chemical_formula_weight         438.18
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.3270(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.64850(10)
_cell_length_b                   26.9339(5)
_cell_length_c                   9.9577(2)
_cell_measurement_temperature    150(1)
_cell_volume                     2145.63(6)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.356
_refine_diff_density_rms         0.066
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C23 H35 Cl1 Zr1'
_cod_database_code               8100255