Crystallography Open Database

Information card for entry 7010535

Preview

Coordinates	7010535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Bi Cl3 O3 P2
Calculated formula	C34 H28 Bi Cl3 O3 P2
SMILES	[Bi]1(Cl)(Cl)(Cl)([O]=P(c2c(P(=[O]1)(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)[o]1cccc1
Title of publication	Synthesis and properties of antimony(III) and bismuth(III) halide complexes of diphosphines and diarsines. Crystal structures of [Bi2I6{o-C6H4(AsMe2)2}2], [Sb2Br6{o-C6H4(PPh2)2}2], [Sb2Cl6{o-C6H4(AsMe2)2}], and [BiCl3{o-C6H4(P(O)Ph2)2}(thf)]
Authors of publication	Genge, Anthony R. J.; Hill, Nicholas J.; Levason, William; Reid, Gillian
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	7
Pages of publication	1007
a	12.043 ± 0.002 Å
b	19.467 ± 0.002 Å
c	14.53 ± 0.002 Å
α	90°
β	101.8 ± 0.02°
γ	90°
Cell volume	3334.4 ± 0.8 Å³
Cell temperature	150.2 K
Ambient diffraction temperature	150.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for all reflections	0.0334
Weighted residual factors for all reflections included in the refinement	0.0334
Goodness-of-fit parameter for all reflections	1.267
Goodness-of-fit parameter for all reflections included in the refinement	1.267
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7010535.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7010535.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010535.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010535.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010535.cif