Crystallography Open Database

Information card for entry 4305082

Preview

Structure parameters

Formula	C52 H62 N4 Ni
Calculated formula	C52 H62 N4 Ni
SMILES	c12ccccc1C=[N](c1c(cccc1C(C)C)C(C)C)[Ni]1([NH]2)Nc2ccccc2C=[N]1c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)C
Title of publication	Synthesis and Characterization of Linear and Square-Planar Nickel Complexes with Primary Amido Ligands
Authors of publication	Jianfeng Li; Haibin Song; Chunming Cui; Jin-Pei Cheng
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3468 - 3470
a	19.802 ± 0.011 Å
b	10.739 ± 0.006 Å
c	21.224 ± 0.012 Å
α	90°
β	95.663 ± 0.008°
γ	90°
Cell volume	4491 ± 4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
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	0.0655
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4305082.html