Crystallography Open Database

Information card for entry 7132552

Preview

Coordinates	7132552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H68 B10 N4 S2 Si2
Calculated formula	C44 H68 B10 N4 S2 Si2
SMILES	S=[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)[C]1234[C]567([Si]8(=S)[N](=C(N8C(C)(C)C)c8ccccc8)C(C)(C)C)[BH]891[BH]1%105[BH]5%116[BH]627[BH]273[BH]348[BH]491[BH]1%105[BH]%1162[BH]7341.c1ccccc1.c1ccccc1
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	13.3084 ± 0.0013 Å
b	13.6054 ± 0.0013 Å
c	16.2398 ± 0.0016 Å
α	76.297 ± 0.004°
β	82.378 ± 0.004°
γ	61.662 ± 0.003°
Cell volume	2513.7 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289372 (current)	2024-02-04	cif/ Updating files of 7132552, 7132553, 7132554, 7132555, 7132556 Original log message: Adding full bibliography for 7132552--7132556.cif.	7132552.cif
288594	2024-01-02	cif/ Adding structures of 7132552, 7132553, 7132554, 7132555, 7132556 via cif-deposit CGI script.	7132552.cif