Crystallography Open Database

Information card for entry 1565018

Preview

Coordinates	1565018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H94 B4 N4 O4 Si2
Calculated formula	C70 H94 B4 N4 O4 Si2
SMILES	B1(N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)[Si](=[Si](\B1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)B1Oc2c(O1)cccc2)\B1Oc2c(O1)cccc2.C(CCC)CC
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	14.9942 ± 0.001 Å
b	11.7473 ± 0.0008 Å
c	19.3646 ± 0.0011 Å
α	90°
β	93.326 ± 0.005°
γ	90°
Cell volume	3405.2 ± 0.4 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 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	0.1968
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
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.	1565018.cif