Crystallography Open Database

Information card for entry 4337190

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Coordinates	4337190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H69 N19 Ni5 O15
Calculated formula	C62 H69 N19 Ni5 O15
Title of publication	Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.
Authors of publication	Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	1113 - 1121
a	31.1231 ± 0.0012 Å
b	13.5792 ± 0.0005 Å
c	22.1012 ± 0.0008 Å
α	90°
β	128.426 ± 0.001°
γ	90°
Cell volume	7317.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0525
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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