Crystallography Open Database

Information card for entry 7209129

7209128 << 7209129 >> 7209130

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Coordinates	7209129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H44 N18 Ni2 O S4
Calculated formula	C39 H44 N18 Ni2 O S4
Title of publication	Exploration and synthesis of condensed coordination networks with modified magnetic properties
Authors of publication	Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	5
Pages of publication	945
a	9.05 ± 0.0007 Å
b	11.3575 ± 0.0008 Å
c	24.0133 ± 0.0016 Å
α	84.29 ± 0.006°
β	85.96 ± 0.006°
γ	79.693 ± 0.006°
Cell volume	2412.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1479
Residual factor for significantly intense reflections	0.1077
Weighted residual factors for significantly intense reflections	0.2853
Weighted residual factors for all reflections included in the refinement	0.3258
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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