Crystallography Open Database

Information card for entry 7714861

Preview

Coordinates	7714861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H45 B Cl2 N3 P Si
Calculated formula	C29 H45 B Cl2 N3 P Si
SMILES	P(Cl)(Cl)N([Si](C)(C)C)B1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
Title of publication	Boron diamide derivatives containing N-N and N-P molecular fragments.
Authors of publication	Major, Christopher J.; Chen, Shi-Ming; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	5
Pages of publication	2159 - 2166
a	10.0999 ± 0.0006 Å
b	16.8384 ± 0.0011 Å
c	19.342 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3289.4 ± 0.3 Å³
Cell temperature	149.99 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	7
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	0.0473
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
289488 (current)	2024-02-04	cif/ Updating files of 7714859, 7714860, 7714861, 7714862 Original log message: Adding full bibliography for 7714859--7714862.cif.	7714861.cif
288586	2024-01-01	cif/ Adding structures of 7714859, 7714860, 7714861, 7714862 via cif-deposit CGI script.	7714861.cif