Crystallography Open Database

Information card for entry 7132556

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Coordinates	7132556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H87 B10 N6 O3 Si2
Calculated formula	C62 H87 B10 N6 O3 Si2
Title of publication	Synthesis of SiN/SiS-heterocycles <i>via</i> the reactions of a bis-silylene with isocyanate/isothiocyanate molecules.
Authors of publication	Liu, Rui; Mondal, Kartik Chandra; Wang, Chenfeng; Suthar, Sonam; Fang, Zijie; Zuo, Darui; Li, Yan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	9
Pages of publication	1148 - 1151
a	12.2822 ± 0.0007 Å
b	20.2269 ± 0.0011 Å
c	25.5456 ± 0.0013 Å
α	90°
β	90.955 ± 0.002°
γ	90°
Cell volume	6345.4 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1358
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	Yes
Has F_obs	No

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