Crystallography Open Database

Information card for entry 7051107

Preview

Coordinates	7051107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H84 Cl Co N6 O12
Calculated formula	C56 H74 Cl Co N6 O12
Title of publication	Evaluation of cobalt(III) tetramethylchiroporphyrin as an analytical reagent for the determination of enantiomer composition of primary amines and aziridines by 1H NMR spectroscopy
Authors of publication	Jean-Pierre Simonato; Sabrina Chappellet; Jacques Pécaut; Paul Baret; Jean-Claude Marchon
Journal of publication	New J. Chem.
Year of publication	2001
Journal volume	25
Journal issue	5
Pages of publication	714 - 720
a	11.8042 ± 0.0001 Å
b	11.8042 ± 0.0001 Å
c	38.5292 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	4649.37 ± 0.06 Å³
Cell temperature	193 ± 2 K
Number of distinct elements	6
Space group number	180
Hermann-Mauguin space group symbol	P 62 2 2
Hall space group symbol	P 62 2 (0 0 4)
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.304
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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