Crystallography Open Database

Information card for entry 4129229

Preview

Coordinates	4129229.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[PhBP3]CoO(4-tBu-Ph)
Formula	C55 H54 B Co O P3
Calculated formula	C55 H54 B Co O P3
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	38.2238 ± 0.0008 Å
b	38.2238 ± 0.0008 Å
c	12.4091 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	18130.4 ± 0.9 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	3.011
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
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.	4129229.cif