Crystallography Open Database

Information card for entry 7717673

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Coordinates	7717673.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ni_Dadt_Bz_Ni_NO_N3_DMF
Formula	C24 H35 N7 Ni2 O2 S2
Calculated formula	C24 H35 N7 Ni2 O2 S2
Title of publication	A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.
Authors of publication	Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
a	12.23 ± 0.0007 Å
b	9.0117 ± 0.0005 Å
c	13.4991 ± 0.0008 Å
α	90°
β	115.129 ± 0.003°
γ	90°
Cell volume	1346.97 ± 0.14 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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