Crystallography Open Database

Information card for entry 7249394

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Coordinates	7249394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 B N9 Na S3
Calculated formula	C27 H25 B N9 Na S3
Title of publication	Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts
Authors of publication	Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	42
Pages of publication	30713 - 30718
a	17.1463 ± 0.0005 Å
b	17.1463 ± 0.0005 Å
c	17.0555 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	4342.5 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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