Crystallography Open Database

Information card for entry 7714134

Preview

Coordinates	7714134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79.5 H90 B3 Cu3 F18 N6
Calculated formula	C79.5 H90 B3 Cu3 F18 N6
Title of publication	Filling the gap with a bulky diaryl boron group: fluorinated and non-fluorinated copper pyrazolates fitted with a dimesityl boron moiety on the backbone
Authors of publication	Vanga, Mukundam; Diroll, Benjamin T.; Muñoz-Castro, Alvaro; Dias, Rasika
Journal of publication	Dalton Transactions
Year of publication	2023
a	16.9215 ± 0.0007 Å
b	16.9436 ± 0.0007 Å
c	17.6659 ± 0.0008 Å
α	72.604 ± 0.002°
β	69.82 ± 0.002°
γ	60.055 ± 0.002°
Cell volume	4069.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286834 (current)	2023-10-07	cif/ Adding structures of 7714134, 7714135 via cif-deposit CGI script.	7714134.cif