Crystallography Open Database

Information card for entry 4329632

Preview

Coordinates	4329632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 B F4 N4 O3 Re
Calculated formula	C24 H30 B F4 N4 O3 Re
Title of publication	New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes
Authors of publication	Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7271 - 7283
a	12.5348 ± 0.001 Å
b	10.8431 ± 0.0009 Å
c	19.692 ± 0.002 Å
α	90°
β	105.942 ± 0.004°
γ	90°
Cell volume	2573.5 ± 0.4 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	4329632.cif
78689	2013-04-02	cif/ Adding structures of 4329632 via cif-deposit CGI script.	4329632.cif