Crystallography Open Database

Information card for entry 7050848

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Coordinates	7050848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H104 Cl7 N21 Ni4 O45 S6
Calculated formula	C88 H76 Cl7 N21 Ni4 O45 S6
Title of publication	Encapsulation of nitrate by a self-assembled tetranickel(II) complex
Authors of publication	Krämer, Roland; Kovbasyuk, Larisa; Pritzkow, Hans
Journal of publication	New Journal of Chemistry
Year of publication	2002
Journal volume	26
Journal issue	5
Pages of publication	516 - 518
a	27.376 ± 0.0006 Å
b	12.7124 ± 0.0002 Å
c	34.4278 ± 0.0007 Å
α	90°
β	100.957 ± 0.001°
γ	90°
Cell volume	11763 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1173
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.2447
Weighted residual factors for all reflections included in the refinement	0.28
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	Yes
Has F_obs	No

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