Crystallography Open Database

Information card for entry 7711564

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Coordinates	7711564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Br O2 P2 Ti
Calculated formula	C28 H44 Br O2 P2 Ti
Title of publication	Synthesis and reactivity of titanium ‘POCOP’ pincer complexes
Authors of publication	Webster, Leah; Krämer, Tobias; Chadwick, F. Mark
Journal of publication	Dalton Transactions
Year of publication	2022
a	15.4564 ± 0.0002 Å
b	12.727 ± 0.0002 Å
c	15.5888 ± 0.0002 Å
α	90°
β	97.7926 ± 0.0014°
γ	90°
Cell volume	3038.21 ± 0.07 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for all reflections	0.1124
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	0.9051
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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