Crystallography Open Database

Information card for entry 4077294

Preview

Coordinates	4077294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Bi2 F12 O3
Calculated formula	C26 H24 Bi2 F12 O3
SMILES	[Bi]12(OC(c3c2cc(cc3)C(C)(C)C)(C(F)(F)F)C(F)(F)F)[O]2[Bi]3([O]1[Bi]14[O]3[Bi]3([O]1C(c1c4cc(cc1)C(C)(C)C)(C(F)(F)F)C(F)(F)F)OC(c1c3cc(cc1)C(C)(C)C)(C(F)(F)F)C(F)(F)F)c1cc(ccc1C2(C(F)(F)F)C(F)(F)F)C(C)(C)C
Title of publication	Synthesis and Structure of a Novel Ladder-Type Organobismuth Compound with Bismuth−Oxygen Interactions
Authors of publication	Uchiyama, Yosuke; Kano, Naokazu; Kawashima, Takayuki
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	12
Pages of publication	2440
a	26.791 ± 0.0007 Å
b	19.457 ± 0.0004 Å
c	23.801 ± 0.0006 Å
α	90°
β	99.958 ± 0.002°
γ	90°
Cell volume	12219.9 ± 0.5 Å³
Cell temperature	120.2 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for all reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections	5.649
Goodness-of-fit parameter for all reflections included in the refinement	5.65
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4077294.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4077294.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077294.cif
54279	2012-04-24	cif/ Adding structures of 4077294 via cif-deposit CGI script.	4077294.cif