Crystallography Open Database

Information card for entry 4116317

Preview

Coordinates	4116317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H64 B4 Bi Cl10 N24 Na S6
Calculated formula	C26 H30 B2 Bi0.5 Cl5 N12 Na0.5 S3
Title of publication	Structural Consequences of the Use of Hard and Soft Tripodal Ligands during Metathesis Reactions: Synthesis of the [Bis(hydrotris(methimazolyl)borato]bismuth(III) [Bis(hydrotris(pyrazolyl)borato]sodiate
Authors of publication	John Reglinski; Mark D. Spicer; Mark Garner; Alan R. Kennedy
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	2317 - 2318
a	12.968 ± 0.004 Å
b	13.279 ± 0.005 Å
c	12.825 ± 0.003 Å
α	109.21 ± 0.03°
β	95.38 ± 0.03°
γ	114.22 ± 0.02°
Cell volume	1833.6 ± 1.2 Å³
Cell temperature	123.2 K
Ambient diffraction temperature	123.2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for all reflections	0.1093
Weighted residual factors for significantly intense reflections	0.0641
Goodness-of-fit parameter for significantly intense reflections	1.412
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
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.	4116317.cif
70929	2013-01-12	cif/ Adding structures of 4116317 via cif-deposit CGI script.	4116317.cif