Crystallography Open Database

Information card for entry 7009496

Preview

Coordinates	7009496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H91 Bi4 O0.5 P Se13
Calculated formula	C89 Bi4 O0.5 P Se13
Title of publication	Polynuclear bismuth selenolates: rings en route to clusters
Authors of publication	DeGroot, Marty W.; Corrigan, John F.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	8
Pages of publication	1235
a	13.9032 ± 0.0007 Å
b	23.4916 ± 0.0013 Å
c	30.3394 ± 0.0011 Å
α	79.858 ± 0.003°
β	83.279 ± 0.003°
γ	78.716 ± 0.002°
Cell volume	9530.6 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1531
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.2208
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7009496.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009496.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009496.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009496.cif