Crystallography Open Database

Information card for entry 7105647

Preview

Coordinates	7105647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 B F15 Mo N O3
Calculated formula	C30 H27 B F15 Mo N O3
SMILES	[Mo](#[N][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
Title of publication	Lewis acid activation of molybdenum nitrides for alkyne metathesis.
Authors of publication	Finke, Aaron D.; Moore, Jeffrey S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	42
Pages of publication	7939 - 7941
a	21.3488 ± 0.0018 Å
b	66.889 ± 0.005 Å
c	10.0299 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	14323 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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