Crystallography Open Database

Information card for entry 7106411

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Coordinates	7106411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H88 Cl3 Co N12
Calculated formula	C70 H94.84 Cl3 Co N12
Title of publication	Donor-extended tripodal pyrroles: encapsulation, metallation, and H-bonded tautomers
Authors of publication	John S. Hart; Fraser J. White; Jason B. Love
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	5711
a	31.439 ± 0.005 Å
b	14.0249 ± 0.0007 Å
c	22.558 ± 0.004 Å
α	90°
β	130.79 ± 0.03°
γ	90°
Cell volume	7531 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1004
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.252
Weighted residual factors for all reflections included in the refinement	0.2661
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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