Crystallography Open Database

Information card for entry 7135624

Preview

Coordinates	7135624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H150 B2 Fe2 P6
Calculated formula	C102 H150 B2 Fe2 P6
Title of publication	Backbone Deprotonation Defines a Hidden Decomposition Pathway of Diphosphine Ligands
Authors of publication	Taylor, Logan; Dilinaer, A. Dina; Boyle, Paul D.; Drover, Marcus W.
Journal of publication	Chemical Communications
Year of publication	2026
a	17.6727 ± 0.0001 Å
b	17.4657 ± 0.0001 Å
c	31.0204 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9574.95 ± 0.1 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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