Crystallography Open Database

Information card for entry 7063358

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Coordinates	7063358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H66 Cl2 N14 Ni2 O9
Calculated formula	C56 H66 Cl2 N14 Ni2 O9
Title of publication	Two chiral CoIII and NiII complexes with identical ligands presenting different nonlinear optical responses
Authors of publication	Wang, Taoyu; Peng, Yanhong; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	32
Pages of publication	14292 - 14297
a	31.575 ± 0.002 Å
b	6.0167 ± 0.0012 Å
c	17.2771 ± 0.0015 Å
α	90°
β	116.709 ± 0.003°
γ	90°
Cell volume	2932 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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