Crystallography Open Database

Information card for entry 7132554

Preview

Coordinates	7132554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H63 B10 N5 O3 Si2
Calculated formula	C40 H63 B10 N5 O3 Si2
SMILES	[Si]123(O[Si]4(O1)([N](=C(N4C(C)(C)C)c1ccccc1)C(C)(C)C)C(=N\c1c(OC)cccc1)/[C]1456[C]7892[BH]2%104[BH]4%115[BH]5%121[BH]1%134[BH]4%145[BH]68%12[BH]59%14[BH]614[BH]2%11%13[BH]7%1056)[N](=C(N3C(C)(C)C)c1ccccc1)C(C)(C)C
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	12.922 ± 0.005 Å
b	17.399 ± 0.008 Å
c	21.674 ± 0.008 Å
α	90°
β	104.21 ± 0.013°
γ	90°
Cell volume	4724 ± 3 Å³
Cell temperature	170 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	0.0678
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7132554.cif
288594	2024-01-02	cif/ Adding structures of 7132552, 7132553, 7132554, 7132555, 7132556 via cif-deposit CGI script.	7132554.cif