Crystallography Open Database

Information card for entry 4129237

Preview

Coordinates	4129237.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[PhBPiPr3]CoSSiPh3
Formula	C45 H68 B Co P3 S Si
Calculated formula	C45 H68 B Co P3 S Si
SMILES	[Co]12(S[Si](c3ccccc3)(c3ccccc3)c3ccccc3)[P](C[B](c3ccccc3)(C[P]1(C(C)C)C(C)C)C[P]2(C(C)C)C(C)C)(C(C)C)C(C)C
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	10.3161 ± 0.0004 Å
b	14.4678 ± 0.0006 Å
c	29.963 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4472 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.37
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.	4129237.cif