Crystallography Open Database

Information card for entry 4308602

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Coordinates	4308602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 Mn N7 Ni O2
Calculated formula	C19 H21 Mn N7 Ni O2
Title of publication	Cyano-Bridged Structures Based on [MnII(N3O2-Macrocycle)]2+: A Synthetic, Structural, and Magnetic Study
Authors of publication	Federica Bonadio; Maria-Cristina Senna; Jürgen Ensling; Andreas Sieber; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	969 - 978
a	17.7973 ± 0.0017 Å
b	12.0677 ± 0.0012 Å
c	9.6736 ± 0.0009 Å
α	90°
β	90.408 ± 0.011°
γ	90°
Cell volume	2077.6 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0528
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	0.857
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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