Crystallography Open Database

Information card for entry 7132598

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Coordinates	7132598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H86 B3 Br N6 O2 Si
Calculated formula	C67 H86 B3 Br N6 O2 Si
Title of publication	A bromo(boryloxy) silylene and its heavier analogues.
Authors of publication	Guthardt, Robin; Jones, Cameron
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	12
Pages of publication	1583 - 1586
a	11.4979 ± 0.0004 Å
b	20.9867 ± 0.0006 Å
c	13.7765 ± 0.0005 Å
α	90°
β	104.384 ± 0.003°
γ	90°
Cell volume	3220.1 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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