Crystallography Open Database

Information card for entry 7703504

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Coordinates	7703504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Co N6 O6
Calculated formula	C44 H52 Co N6 O6
Title of publication	Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.
Authors of publication	Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	10
Pages of publication	3112 - 3119
a	17.4039 ± 0.001 Å
b	28.4415 ± 0.0016 Å
c	8.1734 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4045.8 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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