Crystallography Open Database

Information card for entry 4344400

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Coordinates	4344400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H72 Co N6 P3 Ti
Calculated formula	C42 H72 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	10.8726 ± 0.0004 Å
b	11.7445 ± 0.0004 Å
c	18.6225 ± 0.0006 Å
α	91.1046 ± 0.0018°
β	105.349 ± 0.0017°
γ	96.8835 ± 0.0018°
Cell volume	2273.38 ± 0.14 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.047
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for all reflections	0.0912
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.0057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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