Crystallography Open Database

Information card for entry 7135448

Preview

Coordinates	7135448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H41 B F10 N2 P2
Calculated formula	C53 H41 B F10 N2 P2
Title of publication	Reactions of phosphazines with primary and secondary boranes: adducts, rings and reduction.
Authors of publication	Bedi, Vaibhav; Ocampochua, Andrew Niles L.; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
Journal volume	62
Journal issue	22
Pages of publication	6123 - 6127
a	13.1429 ± 0.0007 Å
b	25.7801 ± 0.0013 Å
c	13.7285 ± 0.0006 Å
α	90°
β	98.058 ± 0.002°
γ	90°
Cell volume	4605.6 ± 0.4 Å³
Cell temperature	150.01 K
Ambient diffraction temperature	150.01 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	0.0501
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7135448.html