Crystallography Open Database

Information card for entry 4079575

Preview

Coordinates	4079575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 B F18 O3
Calculated formula	C32 H25 B F18 O3
SMILES	FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B](O)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.O1CCCC1.O1CCCC1
Title of publication	Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts
Authors of publication	Lai, Yu-Ying; Bornand, Marc; Chen, Peter
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	21
Pages of publication	7558
a	14.4884 ± 0.0005 Å
b	14.4884 ± 0.0005 Å
c	14.8018 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	2690.8 ± 0.2 Å³
Cell temperature	223 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.1229
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.2249
Weighted residual factors for all reflections included in the refinement	0.2505
Goodness-of-fit parameter for all reflections included in the refinement	1.459
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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