Crystallography Open Database

Information card for entry 7132329

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Coordinates	7132329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H144 B2 Fe2 N4 O4
Calculated formula	C118 H144 B2 Fe2 N4 O4
Title of publication	Intramolecular C–N bond activation by a transient boryl anion
Authors of publication	Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie
Journal of publication	Chemical Communications
Year of publication	2023
a	11.8539 ± 0.0001 Å
b	12.9432 ± 0.0002 Å
c	18.7438 ± 0.0002 Å
α	106.544 ± 0.001°
β	99.333 ± 0.001°
γ	105.452 ± 0.001°
Cell volume	2567.42 ± 0.06 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 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	0.0421
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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