Crystallography Open Database

Information card for entry 4129239

Preview

Coordinates	4129239.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Tp*)CoS(2,6-Me2-Ph)
Formula	C23 H31 B Co N6 S
Calculated formula	C23 H31 B Co N6 S
Title of publication	Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.
Authors of publication	Jenkins, David M.; Peters, Jonas C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Journal issue	19
Pages of publication	7148 - 7165
a	23.0774 ± 0.0018 Å
b	13.6982 ± 0.001 Å
c	7.9439 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2511.2 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	2.108
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
240010 (current)	2019-11-25	cif/ Adding structures of 4129228, 4129229, 4129230, 4129231, 4129232, 4129233, 4129234, 4129235, 4129236, 4129237, 4129238, 4129239, 4129240 via cif-deposit CGI script.	4129239.cif