Crystallography Open Database

Information card for entry 7019313

7019312 << 7019313 >> 7019314

Preview

Coordinates	7019313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H29 Bi Cl6 F3 N3 O3 S
Calculated formula	C36 H29 Bi Cl6 F3 N3 O3 S
Title of publication	Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene "clamshell" ligand.
Authors of publication	Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7890 - 7896
a	42.4663 ± 0.0017 Å
b	9.7165 ± 0.0005 Å
c	20.6524 ± 0.0008 Å
α	90°
β	110.538 ± 0.002°
γ	90°
Cell volume	7980 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.074
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7019313.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019313.cif
62836	2012-07-09	cif/ Adding structures of 7019306, 7019307, 7019308, 7019309, 7019310, 7019311, 7019312, 7019313 via cif-deposit CGI script.	7019313.cif