Crystallography Open Database

Information card for entry 7705792

Preview

Coordinates	7705792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H47 B Cl7 Ga2 N3
Calculated formula	C28 H47 B Cl7 Ga2 N3
SMILES	B1(N(C(C)C)C(C)C)[N+](=C(N1C1CCCCC1)c1c(C)cc(C)cc1C)C1CCCCC1.[Ga](Cl)(Cl)(Cl)[Cl][Ga](Cl)(Cl)Cl
Title of publication	Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.
Authors of publication	Bamford, Karlee L.; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	48
Pages of publication	17571 - 17577
a	9.4798 ± 0.001 Å
b	17.8564 ± 0.0018 Å
c	22.909 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3877.9 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.0271
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
260762 (current)	2021-01-07	cif/ Updating files of 7705788, 7705789, 7705790, 7705791, 7705792 Original log message: Adding full bibliography for 7705788--7705792.cif.	7705792.cif
259399	2020-12-01	cif/ Adding structures of 7705788, 7705789, 7705790, 7705791, 7705792 via cif-deposit CGI script.	7705792.cif