Crystallography Open Database

Information card for entry 7717675

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Coordinates	7717675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Cl4 N6 Ni4 S4
Calculated formula	C46 H62 Cl4 N6 Ni4 S4
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	2025
Journal volume	54
Journal issue	12
Pages of publication	4927 - 4934
a	12.177 ± 0.001 Å
b	12.5543 ± 0.001 Å
c	18.8033 ± 0.0015 Å
α	85.08 ± 0.002°
β	82.619 ± 0.003°
γ	63.925 ± 0.002°
Cell volume	2559.2 ± 0.4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0439
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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