Crystallography Open Database

Information card for entry 1565016

Preview

Coordinates	1565016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H95 B3 N4 Si2
Calculated formula	C67 H95 B3 N4 Si2
SMILES	[Si]1(=[Si](B1c1c(cc(cc1C(C)C)C(C)C)C(C)C)B1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)B1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
Title of publication	Isolation of a Planar 1,2-Dilithio-disilene and Its Conversion to Si−B Hybrid 2π-Electron System and a Planar Tetraboryldisilene
Authors of publication	Tian, Miao; Zhang, Jianying; Guo, Lulu; Cui, Chunming
Journal of publication	Chemical Science
Year of publication	2021
a	14.0914 ± 0.0005 Å
b	24.4943 ± 0.0007 Å
c	20.4237 ± 0.0007 Å
α	90°
β	90.338 ± 0.003°
γ	90°
Cell volume	7049.3 ± 0.4 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
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	0.1276
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.178
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
270032 (current)	2021-10-20	cif/ Adding structures of 1565015, 1565016, 1565017, 1565018, 1565019 via cif-deposit CGI script.	1565016.cif