Crystallography Open Database

Information card for entry 4114759

Preview

Coordinates	4114759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.5 H76 Cl1.5 Co N4 O3
Calculated formula	C55.5 H76 Cl1.5 Co N4 O3
Title of publication	Stereoselective Recognition of an Aziridine with a Co(III) Complex: A Potential Transition-State Analogue for Catalytic Epoxidation
Authors of publication	Rhiana Bobb; Gamil Alhakimi; Lisa Studnicki; Alan Lough; Jik Chin
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	4544 - 4545
a	14.3448 ± 0.0004 Å
b	27.295 ± 0.0007 Å
c	16.2612 ± 0.0005 Å
α	90°
β	91.495 ± 0.009°
γ	90°
Cell volume	6364.8 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1949
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.218
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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