Crystallography Open Database

Information card for entry 7009519

Preview

Coordinates	7009519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H72 B2 F6 N18 O8 P Sm
Calculated formula	C52.5 H68 B2 F6 N18 O8 P Sm
Title of publication	Hydrotris[3-(carboxypyrrolidido)pyrazol-1-yl]borate, the first proven N3O3-hexadentate homoscorpionate ligand
Authors of publication	Rheingold, Arnold L.; Incarvito, Christopher D.; Trofimenko, Swiatoslaw
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	8
Pages of publication	1233
a	25.7018 ± 0.0002 Å
b	19.6629 ± 0.0002 Å
c	25.5878 ± 0.0003 Å
α	90°
β	100.436 ± 0.0008°
γ	90°
Cell volume	12717.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.2035
Weighted residual factors for all reflections included in the refinement	0.2119
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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