Crystallography Open Database

Information card for entry 4344402

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Coordinates	4344402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H79 Co N6 P3 Ti
Calculated formula	C54 H79 Co N6 P3 Ti
Title of publication	Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.
Authors of publication	Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10909 - 10917
a	13.3722 ± 0.0003 Å
b	17.4691 ± 0.0004 Å
c	46.0249 ± 0.001 Å
α	90°
β	95.409 ± 0.0015°
γ	90°
Cell volume	10703.6 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0995
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for all reflections	0.1229
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.0003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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